[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone

C15H28N2O2 — CID 104963820

IUPAC[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESNCC1CCC(C(=O)N2CCCCCC2CO)CC1
InChIInChI=1S/C15H28N2O2/c16-10-12-5-7-13(8-6-12)15(19)17-9-3-1-2-4-14(17)11-18/h12-14,18H,1-11,16H2
InChIKeyDSCVRNRICYFZKD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone

[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 104963820) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID104963820
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESNCC1CCC(C(=O)N2CCCCCC2CO)CC1
InChIInChI=1S/C15H28N2O2/c16-10-12-5-7-13(8-6-12)15(19)17-9-3-1-2-4-14(17)11-18/h12-14,18H,1-11,16H2
InChIKeyDSCVRNRICYFZKD-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
(1,1-dioxothiolan-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636225
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 104963820) is [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is NCC1CCC(C(=O)N2CCCCCC2CO)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is DSCVRNRICYFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-10-12-5-7-13(8-6-12)15(19)17-9-3-1-2-4-14(17)11-18/h12-14,18H,1-11,16H2.
What are the key properties of [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone?
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 104963820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).