N-(azepan-1-yl)butanamide

C10H20N2O — CID 67379865

IUPACN-(azepan-1-yl)butanamide
SMILESCCCC(=O)NN1CCCCCC1
InChIInChI=1S/C10H20N2O/c1-2-7-10(13)11-12-8-5-3-4-6-9-12/h2-9H2,1H3,(H,11,13)
InChIKeyDSLKLPFASACFRX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.69
Rot. Bonds3

About N-(azepan-1-yl)butanamide

N-(azepan-1-yl)butanamide (PubChem CID 67379865) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(azepan-1-yl)butanamide.

Molecular Properties

Compound NameN-(azepan-1-yl)butanamide
PubChem CID67379865
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(azepan-1-yl)butanamide
SMILESCCCC(=O)NN1CCCCCC1
InChIInChI=1S/C10H20N2O/c1-2-7-10(13)11-12-8-5-3-4-6-9-12/h2-9H2,1H3,(H,11,13)
InChIKeyDSLKLPFASACFRX-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 154467399
N-(4-methylpiperazin-1-yl)dodecanamide
CID 3590549
[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
CID 67829642
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-pyrrolidin-1-ylacetamide
CID 22023174
N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide
CID 139797965
1,3-dipyrrolidin-1-ylurea
CID 140976479
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276

Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)butanamide?
The IUPAC name of N-(azepan-1-yl)butanamide (CID 67379865) is N-(azepan-1-yl)butanamide.
What is the SMILES notation for N-(azepan-1-yl)butanamide?
The canonical SMILES for N-(azepan-1-yl)butanamide is CCCC(=O)NN1CCCCCC1.
What is the InChIKey of N-(azepan-1-yl)butanamide?
The InChIKey is DSLKLPFASACFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-7-10(13)11-12-8-5-3-4-6-9-12/h2-9H2,1H3,(H,11,13).
What are the key properties of N-(azepan-1-yl)butanamide?
N-(azepan-1-yl)butanamide has a molecular weight of 184.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)butanamide is sourced from PubChem (CID 67379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).