5-(aminomethyl)azepan-3-one

C7H14N2O — CID 57274085

IUPAC5-(aminomethyl)azepan-3-one
SMILESNCC1CCNCC(=O)C1
InChIInChI=1S/C7H14N2O/c8-4-6-1-2-9-5-7(10)3-6/h6,9H,1-5,8H2
InChIKeyACAUJMCNTDLIFA-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.49
Rot. Bonds1

About 5-(aminomethyl)azepan-3-one

5-(aminomethyl)azepan-3-one (PubChem CID 57274085) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-(aminomethyl)azepan-3-one.

Molecular Properties

Compound Name5-(aminomethyl)azepan-3-one
PubChem CID57274085
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-(aminomethyl)azepan-3-one
SMILESNCC1CCNCC(=O)C1
InChIInChI=1S/C7H14N2O/c8-4-6-1-2-9-5-7(10)3-6/h6,9H,1-5,8H2
InChIKeyACAUJMCNTDLIFA-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)azepan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hexylazepan-3-one
CID 57136018
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
iron(5+);piperidin-4-ylmethanamine;pentacyanide
CID 88790374
5-aminopiperidin-3-one
CID 89223298
1,4-diazepan-6-one
CID 23090352
5-butoxyazepan-3-one
CID 118248089
2,5-bis(aminomethyl)cyclohexan-1-one
CID 89427946
3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one
CID 115016261
5-(aminomethyl)piperidin-2-one
CID 10749203
(Z)-4-piperidin-4-ylbut-2-en-1-amine
CID 117265742
diazinan-4-ylmethanamine
CID 91317227
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)azepan-3-one?
The IUPAC name of 5-(aminomethyl)azepan-3-one (CID 57274085) is 5-(aminomethyl)azepan-3-one.
What is the SMILES notation for 5-(aminomethyl)azepan-3-one?
The canonical SMILES for 5-(aminomethyl)azepan-3-one is NCC1CCNCC(=O)C1.
What is the InChIKey of 5-(aminomethyl)azepan-3-one?
The InChIKey is ACAUJMCNTDLIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-4-6-1-2-9-5-7(10)3-6/h6,9H,1-5,8H2.
What are the key properties of 5-(aminomethyl)azepan-3-one?
5-(aminomethyl)azepan-3-one has a molecular weight of 142.20 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)azepan-3-one is sourced from PubChem (CID 57274085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).