1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine

C19H40N2 — CID 107869553

IUPAC1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C19H40N2/c1-16(2)8-12-21(13-9-17(3)4)19(15-20)11-7-10-18(5,6)14-19/h16-17H,7-15,20H2,1-6H3
InChIKeySCMGHTQMGDGZDN-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.68
Rot. Bonds8

About 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine

1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine (PubChem CID 107869553) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
PubChem CID107869553
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C19H40N2/c1-16(2)8-12-21(13-9-17(3)4)19(15-20)11-7-10-18(5,6)14-19/h16-17H,7-15,20H2,1-6H3
InChIKeySCMGHTQMGDGZDN-UHFFFAOYSA-N
XLogP4.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(3-methylbutyl)cyclohexan-1-amine
CID 78993851
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
3-(aminomethyl)-N,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
CID 107869481
N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992110
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 65087963
3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 107869506
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 79520911
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 112682322
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine (CID 107869553) is 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine is CC(C)CCN(CCC(C)C)C1(CN)CCCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine?
The InChIKey is SCMGHTQMGDGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-16(2)8-12-21(13-9-17(3)4)19(15-20)11-7-10-18(5,6)14-19/h16-17H,7-15,20H2,1-6H3.
What are the key properties of 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 107869553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).