2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide

C14H27N3O — CID 79560216

IUPAC2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
SMILESCC(CC1CCCCCN1)NCC(=O)NC1CC1
InChIInChI=1S/C14H27N3O/c1-11(9-13-5-3-2-4-8-15-13)16-10-14(18)17-12-6-7-12/h11-13,15-16H,2-10H2,1H3,(H,17,18)
InChIKeyNMSJMWAGDXSRRR-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.17
Rot. Bonds6

About 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide

2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide (PubChem CID 79560216) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
PubChem CID79560216
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
SMILESCC(CC1CCCCCN1)NCC(=O)NC1CC1
InChIInChI=1S/C14H27N3O/c1-11(9-13-5-3-2-4-8-15-13)16-10-14(18)17-12-6-7-12/h11-13,15-16H,2-10H2,1H3,(H,17,18)
InChIKeyNMSJMWAGDXSRRR-UHFFFAOYSA-N
XLogP1.17
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79541394
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide (CID 79560216) is 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide is CC(CC1CCCCCN1)NCC(=O)NC1CC1.
What is the InChIKey of 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide?
The InChIKey is NMSJMWAGDXSRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(9-13-5-3-2-4-8-15-13)16-10-14(18)17-12-6-7-12/h11-13,15-16H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide?
2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide has a molecular weight of 253.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 79560216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).