1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine

C112H233N15 — CID 162060390

IUPAC1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
SMILESC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCN1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CN1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(CNC(C)(C)C)CC1
InChIInChI=1S/2C13H25N.C12H25N.C11H25N3.C11H24N2.C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)13-9-14-7-5-10(12-4)6-8-14;1-11(2,3)12(4)10-13-8-6-5-7-9-13;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-9-12-7-5-4-6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;11H,5-10H2,1-4H3;10,12-13H,5-9H2,1-4H3;5-10H2,1-4H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;11H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4
InChIKeyYZTHDCZKWYQEPS-UHFFFAOYSA-N
MW1790.20 g/mol
LogP24.68
Rot. Bonds10

About 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine

1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine (PubChem CID 162060390) has the molecular formula C112H233N15 and a molecular weight of 1790.20 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
PubChem CID162060390
Molecular FormulaC112H233N15
Molecular Weight1790.20 g/mol
Exact Mass1788.87
IUPAC Name1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine
SMILESC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCN1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CN1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(CNC(C)(C)C)CC1
InChIInChI=1S/2C13H25N.C12H25N.C11H25N3.C11H24N2.C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)13-9-14-7-5-10(12-4)6-8-14;1-11(2,3)12(4)10-13-8-6-5-7-9-13;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-9-12-7-5-4-6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;11H,5-10H2,1-4H3;10,12-13H,5-9H2,1-4H3;5-10H2,1-4H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;11H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4
InChIKeyYZTHDCZKWYQEPS-UHFFFAOYSA-N
XLogP24.68
TPSA74.97 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.20
LogP ≤ 524.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine?
The IUPAC name of 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine (CID 162060390) is 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine?
The canonical SMILES for 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine is C.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)NCN1CCCCC1.CC1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.CN(CN1CCCCC1)C(C)(C)C.CN1CC2CC1CN2C(C)(C)C.CNC1CCN(CNC(C)(C)C)CC1.
What is the InChIKey of 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine?
The InChIKey is YZTHDCZKWYQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.C12H25N.C11H25N3.C11H24N2.C11H23N.C10H20N2.C10H22N2.C10H19N.C10H21N.CH4/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)13-9-14-7-5-10(12-4)6-8-14;1-11(2,3)12(4)10-13-8-6-5-7-9-13;1-5-10-6-8-12(9-7-10)11(2,3)4;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-9-12-7-5-4-6-8-12;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-5-7-11(8-6-9)10(2,3)4;/h2*4-11H2,1-3H3;11H,5-10H2,1-4H3;10,12-13H,5-9H2,1-4H3;5-10H2,1-4H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;11H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;1H4.
What are the key properties of 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine?
1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine has a molecular weight of 1790.20 g/mol, XLogP of 24.68, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-N-methylpiperidin-4-amine;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;1-tert-butyl-4-ethylpiperidine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-propylpiperidine;N,2-dimethyl-N-(piperidin-1-ylmethyl)propan-2-amine;methane;2-methyl-N-(piperidin-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 162060390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).