3-amino-N-(azepan-4-yl)butanamide

C10H21N3O — CID 130643383

IUPAC3-amino-N-(azepan-4-yl)butanamide
SMILESCC(N)CC(=O)NC1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-8(11)7-10(14)13-9-3-2-5-12-6-4-9/h8-9,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyWBDPQTWCIOFQGA-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.02
Rot. Bonds3

About 3-amino-N-(azepan-4-yl)butanamide

3-amino-N-(azepan-4-yl)butanamide (PubChem CID 130643383) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-amino-N-(azepan-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(azepan-4-yl)butanamide
PubChem CID130643383
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-amino-N-(azepan-4-yl)butanamide
SMILESCC(N)CC(=O)NC1CCCNCC1
InChIInChI=1S/C10H21N3O/c1-8(11)7-10(14)13-9-3-2-5-12-6-4-9/h8-9,12H,2-7,11H2,1H3,(H,13,14)
InChIKeyWBDPQTWCIOFQGA-UHFFFAOYSA-N
XLogP-0.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Hexahydro-7-methyl-5H-1,4-diazepin-5-one
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Butanamide, N-butyl-3-((1-oxobutyl)amino)-
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3-Amino-N-cyclohexylpropanamide
CID 16784326
3,6-diamino-N-(3-aminopropyl)hexanamide
CID 467264
1,5-Diazacycloundecan-2-one
CID 101771384
5-Aminoazepan-2-one
CID 59657951
N-(3-aminopropyl)-3-[cycloheptyl(methyl)amino]-N-methylpropanamide
CID 43613860
1-(Azepan-4-yl)pyrrolidin-2-one
CID 49657806
N-(azepan-4-yl)-N-cyclobutylacetamide
CID 86812210
N-[3-(2-Oxoazepan-1-YL)propyl]acetamide
CID 12414695
4-Aminoazepan-2-one
CID 21584138
(R)-7-Methyl-1,4-diazepan-5-one
CID 93511015

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(azepan-4-yl)butanamide?
The IUPAC name of 3-amino-N-(azepan-4-yl)butanamide (CID 130643383) is 3-amino-N-(azepan-4-yl)butanamide.
What is the SMILES notation for 3-amino-N-(azepan-4-yl)butanamide?
The canonical SMILES for 3-amino-N-(azepan-4-yl)butanamide is CC(N)CC(=O)NC1CCCNCC1.
What is the InChIKey of 3-amino-N-(azepan-4-yl)butanamide?
The InChIKey is WBDPQTWCIOFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(11)7-10(14)13-9-3-2-5-12-6-4-9/h8-9,12H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(azepan-4-yl)butanamide?
3-amino-N-(azepan-4-yl)butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(azepan-4-yl)butanamide is sourced from PubChem (CID 130643383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).