[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine

C17H34N2 — CID 81320512

IUPAC[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H34N2/c1-14-6-5-10-19(11-7-14)17(13-18)9-8-16(3,4)12-15(17)2/h14-15H,5-13,18H2,1-4H3
InChIKeyLLQNHDGIIJFONA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds2

About [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine

[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine (PubChem CID 81320512) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
PubChem CID81320512
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C)(C)CC2C)CC1
InChIInChI=1S/C17H34N2/c1-14-6-5-10-19(11-7-14)17(13-18)9-8-16(3,4)12-15(17)2/h14-15H,5-13,18H2,1-4H3
InChIKeyLLQNHDGIIJFONA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine (CID 81320512) is [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine is CC1CCCN(C2(CN)CCC(C)(C)CC2C)CC1.
What is the InChIKey of [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The InChIKey is LLQNHDGIIJFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-6-5-10-19(11-7-14)17(13-18)9-8-16(3,4)12-15(17)2/h14-15H,5-13,18H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).