3-[(4-propylcycloheptyl)amino]propanamide

C13H26N2O — CID 65086939

IUPAC3-[(4-propylcycloheptyl)amino]propanamide
SMILESCCCC1CCCC(NCCC(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-2-4-11-5-3-6-12(8-7-11)15-10-9-13(14)16/h11-12,15H,2-10H2,1H3,(H2,14,16)
InChIKeyYOMUYTIFXLFFHB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds6

About 3-[(4-propylcycloheptyl)amino]propanamide

3-[(4-propylcycloheptyl)amino]propanamide (PubChem CID 65086939) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(4-propylcycloheptyl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-propylcycloheptyl)amino]propanamide
PubChem CID65086939
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(4-propylcycloheptyl)amino]propanamide
SMILESCCCC1CCCC(NCCC(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-2-4-11-5-3-6-12(8-7-11)15-10-9-13(14)16/h11-12,15H,2-10H2,1H3,(H2,14,16)
InChIKeyYOMUYTIFXLFFHB-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
N-methyl-2-[(4-propylcycloheptyl)amino]acetamide
CID 65086398
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
CID 106335972
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylcycloheptyl)amino]propanamide?
The IUPAC name of 3-[(4-propylcycloheptyl)amino]propanamide (CID 65086939) is 3-[(4-propylcycloheptyl)amino]propanamide.
What is the SMILES notation for 3-[(4-propylcycloheptyl)amino]propanamide?
The canonical SMILES for 3-[(4-propylcycloheptyl)amino]propanamide is CCCC1CCCC(NCCC(N)=O)CC1.
What is the InChIKey of 3-[(4-propylcycloheptyl)amino]propanamide?
The InChIKey is YOMUYTIFXLFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-4-11-5-3-6-12(8-7-11)15-10-9-13(14)16/h11-12,15H,2-10H2,1H3,(H2,14,16).
What are the key properties of 3-[(4-propylcycloheptyl)amino]propanamide?
3-[(4-propylcycloheptyl)amino]propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylcycloheptyl)amino]propanamide is sourced from PubChem (CID 65086939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).