bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine

C176H353N23O5S2 — CID 157476482

IUPACbis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine
SMILESC.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCN1.CC(C)(C)NC1CCCCO1.CC(C)(C)NC1CCCN1.CC(C)(C)NC1CCCO1.CC(C)(C)NC1CCCOC1.CC(C)(C)NC1CCCS1.CC(C)(C)NC1CCOC1.CC(C)(C)NC1CCSC1.CC(C)(C)NCC1CCOC1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccn1.CC(C)(C)Nc1cccnc1.CC1CCC(NC(C)(C)C)CC1.CC1CCCC(NC(C)(C)C)C1
InChIInChI=1S/2C11H23N.3C10H21N.2C10H15N.C9H14N2.C9H20N2.C9H14N2.3C9H19NO.C9H19N.C8H18N2.2C8H17NO.2C8H17NS.CH4/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;5*1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)11-8-5-4-6-10-7-8;2*1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-6-8-4-5-11-7-8;1-9(2,3)10-8-5-4-6-11-7-8;1-9(2,3)10-8-6-4-5-7-11-8;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)10-7-5-4-6-9-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;/h2*9-10,12H,5-8H2,1-4H3;3*9,11H,4-8H2,1-3H3;2*4-8,11H,1-3H3;4-7,11H,1-3H3;8,10-11H,4-7H2,1-3H3;4-7H,1-3H3,(H,10,11);3*8,10H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;4*7,9H,4-6H2,1-3H3;1H4
InChIKeyBVQNTLUUXQYMAV-UHFFFAOYSA-N
MW2936.05 g/mol
LogP41.56
Rot. Bonds20

About bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine

bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine (PubChem CID 157476482) has the molecular formula C176H353N23O5S2 and a molecular weight of 2936.05 g/mol. Its IUPAC name is bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Namebis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine
PubChem CID157476482
Molecular FormulaC176H353N23O5S2
Molecular Weight2936.05 g/mol
Exact Mass2933.75
IUPAC Namebis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine
SMILESC.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCN1.CC(C)(C)NC1CCCCO1.CC(C)(C)NC1CCCN1.CC(C)(C)NC1CCCO1.CC(C)(C)NC1CCCOC1.CC(C)(C)NC1CCCS1.CC(C)(C)NC1CCOC1.CC(C)(C)NC1CCSC1.CC(C)(C)NCC1CCOC1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccn1.CC(C)(C)Nc1cccnc1.CC1CCC(NC(C)(C)C)CC1.CC1CCCC(NC(C)(C)C)C1
InChIInChI=1S/2C11H23N.3C10H21N.2C10H15N.C9H14N2.C9H20N2.C9H14N2.3C9H19NO.C9H19N.C8H18N2.2C8H17NO.2C8H17NS.CH4/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;5*1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)11-8-5-4-6-10-7-8;2*1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-6-8-4-5-11-7-8;1-9(2,3)10-8-5-4-6-11-7-8;1-9(2,3)10-8-6-4-5-7-11-8;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)10-7-5-4-6-9-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;/h2*9-10,12H,5-8H2,1-4H3;3*9,11H,4-8H2,1-3H3;2*4-8,11H,1-3H3;4-7,11H,1-3H3;8,10-11H,4-7H2,1-3H3;4-7H,1-3H3,(H,10,11);3*8,10H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;4*7,9H,4-6H2,1-3H3;1H4
InChIKeyBVQNTLUUXQYMAV-UHFFFAOYSA-N
XLogP41.56
TPSA324.56 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002936.05
LogP ≤ 541.56
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Analyze bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine?
The IUPAC name of bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine (CID 157476482) is bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine?
The canonical SMILES for bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine is C.CC(C)(C)NC1CCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCCCN1.CC(C)(C)NC1CCCCO1.CC(C)(C)NC1CCCN1.CC(C)(C)NC1CCCO1.CC(C)(C)NC1CCCOC1.CC(C)(C)NC1CCCS1.CC(C)(C)NC1CCOC1.CC(C)(C)NC1CCSC1.CC(C)(C)NCC1CCOC1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccc1.CC(C)(C)Nc1ccccn1.CC(C)(C)Nc1cccnc1.CC1CCC(NC(C)(C)C)CC1.CC1CCCC(NC(C)(C)C)C1.
What is the InChIKey of bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine?
The InChIKey is BVQNTLUUXQYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.3C10H21N.2C10H15N.C9H14N2.C9H20N2.C9H14N2.3C9H19NO.C9H19N.C8H18N2.2C8H17NO.2C8H17NS.CH4/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4;5*1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)11-8-5-4-6-10-7-8;2*1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-6-8-4-5-11-7-8;1-9(2,3)10-8-5-4-6-11-7-8;1-9(2,3)10-8-6-4-5-7-11-8;1-9(2,3)10-8-6-4-5-7-8;1-8(2,3)10-7-5-4-6-9-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;1-8(2,3)9-7-4-5-10-6-7;1-8(2,3)9-7-5-4-6-10-7;/h2*9-10,12H,5-8H2,1-4H3;3*9,11H,4-8H2,1-3H3;2*4-8,11H,1-3H3;4-7,11H,1-3H3;8,10-11H,4-7H2,1-3H3;4-7H,1-3H3,(H,10,11);3*8,10H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7,9-10H,4-6H2,1-3H3;4*7,9H,4-6H2,1-3H3;1H4.
What are the key properties of bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine?
bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine has a molecular weight of 2936.05 g/mol, XLogP of 41.56, 20 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butylaniline);tris(N-tert-butylcyclohexanamine);N-tert-butylcyclopentanamine;N-tert-butyl-3-methylcyclohexan-1-amine;N-tert-butyl-4-methylcyclohexan-1-amine;N-tert-butyloxan-2-amine;N-tert-butyloxan-3-amine;N-tert-butyloxolan-2-amine;N-tert-butyloxolan-3-amine;N-tert-butylpiperidin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyrrolidin-2-amine;N-tert-butylthiolan-2-amine;N-tert-butylthiolan-3-amine;methane;2-methyl-N-(oxolan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 157476482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).