N-(4-aminocyclohexyl)prop-2-enamide

C9H16N2O — CID 62319252

IUPACN-(4-aminocyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(N)CC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyWLGWXZVPEDTYQZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds2

About N-(4-aminocyclohexyl)prop-2-enamide

N-(4-aminocyclohexyl)prop-2-enamide (PubChem CID 62319252) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)prop-2-enamide
PubChem CID62319252
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(4-aminocyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(N)CC1
InChIInChI=1S/C9H16N2O/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyWLGWXZVPEDTYQZ-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)prop-2-enamide?
The IUPAC name of N-(4-aminocyclohexyl)prop-2-enamide (CID 62319252) is N-(4-aminocyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(4-aminocyclohexyl)prop-2-enamide?
The canonical SMILES for N-(4-aminocyclohexyl)prop-2-enamide is C=CC(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)prop-2-enamide?
The InChIKey is WLGWXZVPEDTYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2,7-8H,1,3-6,10H2,(H,11,12).
What are the key properties of N-(4-aminocyclohexyl)prop-2-enamide?
N-(4-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-(4-aminocyclohexyl)prop-2-enamide is sourced from PubChem (CID 62319252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).