[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine

C15H30N2 — CID 63623138

IUPAC[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-4-3-10-17(11-7-13)15(12-16)8-5-14(2)6-9-15/h13-14H,3-12,16H2,1-2H3
InChIKeyUZHOPSMCBFVADA-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds2

About [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine

[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine (PubChem CID 63623138) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
PubChem CID63623138
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-4-3-10-17(11-7-13)15(12-16)8-5-14(2)6-9-15/h13-14H,3-12,16H2,1-2H3
InChIKeyUZHOPSMCBFVADA-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine (CID 63623138) is [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine is CC1CCCN(C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
The InChIKey is UZHOPSMCBFVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-4-3-10-17(11-7-13)15(12-16)8-5-14(2)6-9-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine?
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 63623138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).