2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide

C12H20N2O — CID 115976493

IUPAC2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1CCCC1CN
InChIInChI=1S/C12H20N2O/c1-3-5-9(2)14-12(15)11-7-4-6-10(11)8-13/h1,9-11H,4-8,13H2,2H3,(H,14,15)
InChIKeyDOVBPOPUVIKKNG-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.89
Rot. Bonds4

About 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide

2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide (PubChem CID 115976493) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide
PubChem CID115976493
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1CCCC1CN
InChIInChI=1S/C12H20N2O/c1-3-5-9(2)14-12(15)11-7-4-6-10(11)8-13/h1,9-11H,4-8,13H2,2H3,(H,14,15)
InChIKeyDOVBPOPUVIKKNG-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide 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

N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 107221301
2-amino-N-(1-cyanopropan-2-yl)cyclopentane-1-carboxamide
CID 64824063
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
N-pent-4-yn-2-ylcyclopent-3-ene-1-carboxamide
CID 115661767
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
CID 115976498

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide (CID 115976493) is 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide is C#CCC(C)NC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide?
The InChIKey is DOVBPOPUVIKKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-9(2)14-12(15)11-7-4-6-10(11)8-13/h1,9-11H,4-8,13H2,2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide?
2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 115976493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).