N-(2-aminocyclohexyl)prop-2-enamide

C9H16N2O — CID 61038353

IUPACN-(2-aminocyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1N
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyIKTHLTNWRLDEKR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds2

About N-(2-aminocyclohexyl)prop-2-enamide

N-(2-aminocyclohexyl)prop-2-enamide (PubChem CID 61038353) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)prop-2-enamide
PubChem CID61038353
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-aminocyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1N
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyIKTHLTNWRLDEKR-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-aminocyclohexyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acrylamide, N-cyclohexyl-
CID 137811
1,6-Hexamethylenebisacrylamide
CID 250559
N-(2-acryloylamino-(1r,2r)-cyclohexyl)-acrylamine
CID 54249047
(E)-N-cyclohexylbut-2-enamide
CID 14316394
N-(6-aminohexyl)prop-2-enamide
CID 1901365
N,N'-(1s,2s)-1,2-cyclohexanediyl-bis-2-propenamide
CID 22855274
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753
N-(Hexan-2-YL)prop-2-enamide
CID 20510138
(E)-N-cyclohexyl-3-fluoroprop-2-enamide
CID 156280297
N-cyclohexylbut-2-enamide
CID 53667486
1-(4-Cyclopentylpiperazin-4-ium-1-yl)prop-2-en-1-one
CID 102365386

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)prop-2-enamide?
The IUPAC name of N-(2-aminocyclohexyl)prop-2-enamide (CID 61038353) is N-(2-aminocyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(2-aminocyclohexyl)prop-2-enamide?
The canonical SMILES for N-(2-aminocyclohexyl)prop-2-enamide is C=CC(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)prop-2-enamide?
The InChIKey is IKTHLTNWRLDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h2,7-8H,1,3-6,10H2,(H,11,12).
What are the key properties of N-(2-aminocyclohexyl)prop-2-enamide?
N-(2-aminocyclohexyl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)prop-2-enamide is sourced from PubChem (CID 61038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).