3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide

C14H23N3O — CID 79393765

IUPAC3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
SMILESN#CC1CCCCCC1NCCC(=O)NC1CC1
InChIInChI=1S/C14H23N3O/c15-10-11-4-2-1-3-5-13(11)16-9-8-14(18)17-12-6-7-12/h11-13,16H,1-9H2,(H,17,18)
InChIKeyCGDCOEBBGINATL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds5

About 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide

3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide (PubChem CID 79393765) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
PubChem CID79393765
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
SMILESN#CC1CCCCCC1NCCC(=O)NC1CC1
InChIInChI=1S/C14H23N3O/c15-10-11-4-2-1-3-5-13(11)16-9-8-14(18)17-12-6-7-12/h11-13,16H,1-9H2,(H,17,18)
InChIKeyCGDCOEBBGINATL-UHFFFAOYSA-N
XLogP1.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
N-cyclopropyl-3-[(2-ethylcyclohexyl)amino]propanamide
CID 62627749
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-cyclopropyl-3-[(2-ethylcyclopentyl)amino]propanamide
CID 115714181
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
N-cyclopropyl-3-[(2-phenylcyclohexyl)amino]propanamide
CID 79377780
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide (CID 79393765) is 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide is N#CC1CCCCCC1NCCC(=O)NC1CC1.
What is the InChIKey of 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide?
The InChIKey is CGDCOEBBGINATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-10-11-4-2-1-3-5-13(11)16-9-8-14(18)17-12-6-7-12/h11-13,16H,1-9H2,(H,17,18).
What are the key properties of 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide?
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79393765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).