4-(4-hydroxybutylamino)azepan-2-one

C10H20N2O2 — CID 106841878

IUPAC4-(4-hydroxybutylamino)azepan-2-one
SMILESO=C1CC(NCCCCO)CCCN1
InChIInChI=1S/C10H20N2O2/c13-7-2-1-5-11-9-4-3-6-12-10(14)8-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyLKMYFGXUWCJKOH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.02
Rot. Bonds5

About 4-(4-hydroxybutylamino)azepan-2-one

4-(4-hydroxybutylamino)azepan-2-one (PubChem CID 106841878) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)azepan-2-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)azepan-2-one
PubChem CID106841878
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(4-hydroxybutylamino)azepan-2-one
SMILESO=C1CC(NCCCCO)CCCN1
InChIInChI=1S/C10H20N2O2/c13-7-2-1-5-11-9-4-3-6-12-10(14)8-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyLKMYFGXUWCJKOH-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethylamino)azepan-2-one
CID 63887291
N-ethyl-N-[3-[(2-oxoazepan-4-yl)amino]propyl]methanesulfonamide
CID 63905047
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]azepan-2-one
CID 115454770
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
CID 106336200
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
4-(2-morpholin-4-ylethylamino)azepan-2-one
CID 63904459
4-[(1-methylcyclopentyl)methylamino]azepan-2-one
CID 63889274
4-[2-(3-methylphenyl)ethylamino]azepan-2-one
CID 63887888
4-[(4-hydroxyoxan-4-yl)methylamino]azepan-2-one
CID 81130451
4-(2,2,3,3-tetrafluoropropylamino)azepan-2-one
CID 106291237
4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one
CID 63889069

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)azepan-2-one?
The IUPAC name of 4-(4-hydroxybutylamino)azepan-2-one (CID 106841878) is 4-(4-hydroxybutylamino)azepan-2-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)azepan-2-one?
The canonical SMILES for 4-(4-hydroxybutylamino)azepan-2-one is O=C1CC(NCCCCO)CCCN1.
What is the InChIKey of 4-(4-hydroxybutylamino)azepan-2-one?
The InChIKey is LKMYFGXUWCJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-2-1-5-11-9-4-3-6-12-10(14)8-9/h9,11,13H,1-8H2,(H,12,14).
What are the key properties of 4-(4-hydroxybutylamino)azepan-2-one?
4-(4-hydroxybutylamino)azepan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)azepan-2-one is sourced from PubChem (CID 106841878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).