3-(azepan-4-ylamino)-N-cyclopropylpropanamide

C12H23N3O — CID 103982443

IUPAC3-(azepan-4-ylamino)-N-cyclopropylpropanamide
SMILESO=C(CCNC1CCCNCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c16-12(15-11-3-4-11)6-9-14-10-2-1-7-13-8-5-10/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyUMALINRXNXRQKL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.39
Rot. Bonds5

About 3-(azepan-4-ylamino)-N-cyclopropylpropanamide

3-(azepan-4-ylamino)-N-cyclopropylpropanamide (PubChem CID 103982443) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(azepan-4-ylamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(azepan-4-ylamino)-N-cyclopropylpropanamide
PubChem CID103982443
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(azepan-4-ylamino)-N-cyclopropylpropanamide
SMILESO=C(CCNC1CCCNCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c16-12(15-11-3-4-11)6-9-14-10-2-1-7-13-8-5-10/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyUMALINRXNXRQKL-UHFFFAOYSA-N
XLogP0.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
N-(azepan-4-yl)dodecanamide
CID 105060891
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
3-amino-N-(azepan-4-yl)butanamide
CID 130643383

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-ylamino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(azepan-4-ylamino)-N-cyclopropylpropanamide (CID 103982443) is 3-(azepan-4-ylamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(azepan-4-ylamino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(azepan-4-ylamino)-N-cyclopropylpropanamide is O=C(CCNC1CCCNCC1)NC1CC1.
What is the InChIKey of 3-(azepan-4-ylamino)-N-cyclopropylpropanamide?
The InChIKey is UMALINRXNXRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(15-11-3-4-11)6-9-14-10-2-1-7-13-8-5-10/h10-11,13-14H,1-9H2,(H,15,16).
What are the key properties of 3-(azepan-4-ylamino)-N-cyclopropylpropanamide?
3-(azepan-4-ylamino)-N-cyclopropylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-ylamino)-N-cyclopropylpropanamide is sourced from PubChem (CID 103982443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).