azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane

C74H159N7 — CID 165019313

IUPACazane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)C.N
InChIInChI=1S/2C13H27N.2C12H25N.C11H23N.C9H19N.C4H10.H3N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h2*11H,7-10H2,1-6H3;2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3;1H3
InChIKeyKNQQWSZRINFGDE-UHFFFAOYSA-N
MW1147.13 g/mol
LogP20.30
Rot. Bonds

About azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane

azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane (PubChem CID 165019313) has the molecular formula C74H159N7 and a molecular weight of 1147.13 g/mol. Its IUPAC name is azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane.

Molecular Properties

Compound Nameazane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane
PubChem CID165019313
Molecular FormulaC74H159N7
Molecular Weight1147.13 g/mol
Exact Mass1146.27
IUPAC Nameazane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane
SMILESCC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)C.N
InChIInChI=1S/2C13H27N.2C12H25N.C11H23N.C9H19N.C4H10.H3N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h2*11H,7-10H2,1-6H3;2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3;1H3
InChIKeyKNQQWSZRINFGDE-UHFFFAOYSA-N
XLogP20.30
TPSA63.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.13
LogP ≤ 520.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-6-(8-methyl-2,8-diazaspiro[4.5]decan-3-yl)-2,9-diazaspiro[4.5]decane
CID 123273081
2-Methyl-6-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,9-diazaspiro[4.5]decane
CID 123526302
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
7-[8-[5-(1,8-Diazaspiro[4.5]decan-8-yl)-2,5-dimethylhexan-2-yl]-2,8-diazaspiro[4.5]decan-6-yl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 137508378
4-[4-(2-Aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
CID 139572959
(1R,4R)-2-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;ethane;methanamine
CID 153544349
Bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
CID 157401925
1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-(5,5-dimethylhexyl)pyrrolidine
CID 157814677
2-Tert-butylazetidine;3-tert-butylazetidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 158263077
1-Tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
CID 158630337
Bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine
CID 159525172
1,2-Ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159835138

Frequently Asked Questions

What is the IUPAC name of azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane?
The IUPAC name of azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane (CID 165019313) is azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane.
What is the SMILES notation for azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane?
The canonical SMILES for azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane is CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)C.N.
What is the InChIKey of azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane?
The InChIKey is KNQQWSZRINFGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N.2C12H25N.C11H23N.C9H19N.C4H10.H3N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6;1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h2*11H,7-10H2,1-6H3;2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;8,10H,4-7H2,1-3H3;4H,1-3H3;1H3.
What are the key properties of azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane?
azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane has a molecular weight of 1147.13 g/mol, XLogP of 20.30, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-tert-butylpiperidine;1,3-ditert-butylazetidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;2-methylpropane is sourced from PubChem (CID 165019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).