1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine

C14H28N2 — CID 63625982

IUPAC1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-13-6-5-10-16(11-7-13)12-14(15)8-3-2-4-9-14/h13H,2-12,15H2,1H3
InChIKeyKVASKSHFUQJKJW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds2

About 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine

1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63625982) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID63625982
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCN(CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-13-6-5-10-16(11-7-13)12-14(15)8-3-2-4-9-14/h13H,2-12,15H2,1H3
InChIKeyKVASKSHFUQJKJW-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951
1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 63622664
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
CID 65283024
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 64554463
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
1-[(4,4-diethylpiperidin-1-yl)methyl]-3-methylcyclohexan-1-amine
CID 64554686
1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
CID 130684129
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81169692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine (CID 63625982) is 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is CC1CCCN(CC2(N)CCCCC2)CC1.
What is the InChIKey of 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is KVASKSHFUQJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13-6-5-10-16(11-7-13)12-14(15)8-3-2-4-9-14/h13H,2-12,15H2,1H3.
What are the key properties of 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine?
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63625982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).