1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine

C10H22N2 — CID 9161377

IUPAC1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C)CC1
InChIInChI=1S/C10H22N2/c1-9-4-6-10(8-11,7-5-9)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyBJLJEBKJWXMKNP-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds2

About 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 9161377) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
PubChem CID9161377
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C)CC1
InChIInChI=1S/C10H22N2/c1-9-4-6-10(8-11,7-5-9)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyBJLJEBKJWXMKNP-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
1-(aminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60893094
N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
CID 79160492
1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 63487165
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
CID 62006209
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine (CID 9161377) is 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BJLJEBKJWXMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-4-6-10(8-11,7-5-9)12(2)3/h9H,4-8,11H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 9161377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).