4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide

C13H22N2O — CID 104694630

IUPAC4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C13H22N2O/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12/h1-2,10-12H,3-9,14H2,(H,15,16)
InChIKeyCSIBYIVEACKWMM-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.59
Rot. Bonds3

About 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide (PubChem CID 104694630) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
PubChem CID104694630
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C13H22N2O/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12/h1-2,10-12H,3-9,14H2,(H,15,16)
InChIKeyCSIBYIVEACKWMM-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.59
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 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide (CID 104694630) is 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide is NCC1CCC(C(=O)NC2CC=CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide?
The InChIKey is CSIBYIVEACKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12/h1-2,10-12H,3-9,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 104694630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).