N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H22N2O — CID 63886807

IUPACN-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCC1(NC(=O)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C14H22N2O/c15-9-14(5-1-2-6-14)16-13(17)12-8-10-3-4-11(12)7-10/h3-4,10-12H,1-2,5-9,15H2,(H,16,17)
InChIKeyOMTQHBSGLKJSLK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.59
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 63886807) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID63886807
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCC1(NC(=O)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C14H22N2O/c15-9-14(5-1-2-6-14)16-13(17)12-8-10-3-4-11(12)7-10/h3-4,10-12H,1-2,5-9,15H2,(H,16,17)
InChIKeyOMTQHBSGLKJSLK-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
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 N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 63886807) is N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is NCC1(NC(=O)C2CC3C=CC2C3)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is OMTQHBSGLKJSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-9-14(5-1-2-6-14)16-13(17)12-8-10-3-4-11(12)7-10/h3-4,10-12H,1-2,5-9,15H2,(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 234.34 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 N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 63886807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).