4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one

C13H24N2O2 — CID 63889069

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one
SMILESO=C1CC(NC2(CO)CCCCC2)CCCN1
InChIInChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)15-11-5-4-8-14-12(17)9-11/h11,15-16H,1-10H2,(H,14,17)
InChIKeyPGXZRMBUUGDSLO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.94
Rot. Bonds3

About 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one

4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one (PubChem CID 63889069) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one
PubChem CID63889069
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one
SMILESO=C1CC(NC2(CO)CCCCC2)CCCN1
InChIInChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)15-11-5-4-8-14-12(17)9-11/h11,15-16H,1-10H2,(H,14,17)
InChIKeyPGXZRMBUUGDSLO-UHFFFAOYSA-N
XLogP0.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylcyclopentyl)amino]azepan-2-one
CID 63905240
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]azepan-2-one
CID 115454770
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[1-(piperidin-4-ylamino)cyclohexyl]methanol
CID 62521858
4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one
CID 107423733
4-[(1-methylcyclopentyl)methylamino]azepan-2-one
CID 63889274
4-(4-hydroxybutylamino)azepan-2-one
CID 106841878
4-[(1-hydroxy-3-methylbutan-2-yl)amino]azepan-2-one
CID 79250119
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
4-[(4-hydroxycyclohexyl)amino]azepan-2-one
CID 63889088
5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
CID 103829234
3,5,7-trimethyl-N-[(4S)-2-oxoazepan-4-yl]adamantane-1-carboxamide
CID 68593909

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one (CID 63889069) is 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one is O=C1CC(NC2(CO)CCCCC2)CCCN1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one?
The InChIKey is PGXZRMBUUGDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-10-13(6-2-1-3-7-13)15-11-5-4-8-14-12(17)9-11/h11,15-16H,1-10H2,(H,14,17).
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one?
4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one is sourced from PubChem (CID 63889069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).