N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide

C9H16N2O — CID 60964403

IUPACN-(2-aminoethyl)cyclohex-3-ene-1-carboxamide
SMILESNCCNC(=O)C1CC=CCC1
InChIInChI=1S/C9H16N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7,10H2,(H,11,12)
InChIKeyQLKHNGVGOSJQSG-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.42
Rot. Bonds3

About N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide

N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 60964403) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)cyclohex-3-ene-1-carboxamide
PubChem CID60964403
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-aminoethyl)cyclohex-3-ene-1-carboxamide
SMILESNCCNC(=O)C1CC=CCC1
InChIInChI=1S/C9H16N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7,10H2,(H,11,12)
InChIKeyQLKHNGVGOSJQSG-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide (CID 60964403) is N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide is NCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is QLKHNGVGOSJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7,10H2,(H,11,12).
What are the key properties of N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide?
N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 60964403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).