1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide

C13H25N3O — CID 81171639

IUPAC1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCN2CCCCCC2)CCC1
InChIInChI=1S/C13H25N3O/c14-13(6-5-7-13)12(17)15-8-11-16-9-3-1-2-4-10-16/h1-11,14H2,(H,15,17)
InChIKeyPGJHAFAZYVYDQG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds4

About 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81171639) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID81171639
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCN2CCCCCC2)CCC1
InChIInChI=1S/C13H25N3O/c14-13(6-5-7-13)12(17)15-8-11-16-9-3-1-2-4-10-16/h1-11,14H2,(H,15,17)
InChIKeyPGJHAFAZYVYDQG-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide (CID 81171639) is 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide is NC1(C(=O)NCCN2CCCCCC2)CCC1.
What is the InChIKey of 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is PGJHAFAZYVYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(6-5-7-13)12(17)15-8-11-16-9-3-1-2-4-10-16/h1-11,14H2,(H,15,17).
What are the key properties of 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).