1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

C17H34N2 — CID 79847113

IUPAC1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C17H34N2/c1-14-9-5-6-10-15(14)19(4)17(13-18)12-8-7-11-16(17,2)3/h14-15H,5-13,18H2,1-4H3
InChIKeyKLUMLIKQUYWSNU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds3

About 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 79847113) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
PubChem CID79847113
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C17H34N2/c1-14-9-5-6-10-15(14)19(4)17(13-18)12-8-7-11-16(17,2)3/h14-15H,5-13,18H2,1-4H3
InChIKeyKLUMLIKQUYWSNU-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (CID 79847113) is 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine is CC1CCCCC1N(C)C1(CN)CCCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is KLUMLIKQUYWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-9-5-6-10-15(14)19(4)17(13-18)12-8-7-11-16(17,2)3/h14-15H,5-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 3 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-(2-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 79847113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).