N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine

C14H28N2 — CID 79619483

IUPACN-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1CCCC(N2CCCC(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-12-5-4-9-16(10-8-12)14-7-3-6-13(11-14)15-2/h12-15H,3-11H2,1-2H3
InChIKeyIARCQTOAGHTPKL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine

N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine (PubChem CID 79619483) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
PubChem CID79619483
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1CCCC(N2CCCC(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-12-5-4-9-16(10-8-12)14-7-3-6-13(11-14)15-2/h12-15H,3-11H2,1-2H3
InChIKeyIARCQTOAGHTPKL-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine (CID 79619483) is N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine is CNC1CCCC(N2CCCC(C)CC2)C1.
What is the InChIKey of N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is IARCQTOAGHTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-5-4-9-16(10-8-12)14-7-3-6-13(11-14)15-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine?
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).