1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine

C15H32N2 — CID 79836995

IUPAC1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C15H32N2/c1-6-9-13(2)17(5)15(12-16)11-8-7-10-14(15,3)4/h13H,6-12,16H2,1-5H3
InChIKeyUURKQPUBKYRKFW-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine (PubChem CID 79836995) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
PubChem CID79836995
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C15H32N2/c1-6-9-13(2)17(5)15(12-16)11-8-7-10-14(15,3)4/h13H,6-12,16H2,1-5H3
InChIKeyUURKQPUBKYRKFW-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
CID 79948724
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
1-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 79836992
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79856564
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylbutyl)cyclopentan-1-amine
CID 79858006
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
CID 81059608
1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836655
2,2-dimethyl-1-(2-methylpentyl)cyclohexan-1-amine
CID 79835898
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 79847113
3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
CID 43571900
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 79847644
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine (CID 79836995) is 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine is CCCC(C)N(C)C1(CN)CCCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine?
The InChIKey is UURKQPUBKYRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-9-13(2)17(5)15(12-16)11-8-7-10-14(15,3)4/h13H,6-12,16H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79836995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).