2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide

C13H21NO — CID 104919738

IUPAC2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H21NO/c1-6-13(4,5)14-11(15)10-8-7-9-12(10,2)3/h1,10H,7-9H2,2-5H3,(H,14,15)
InChIKeyGXVLCBWHPVGDHO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds2

About 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide

2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide (PubChem CID 104919738) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
PubChem CID104919738
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H21NO/c1-6-13(4,5)14-11(15)10-8-7-9-12(10,2)3/h1,10H,7-9H2,2-5H3,(H,14,15)
InChIKeyGXVLCBWHPVGDHO-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920580
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 107175586
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761827
N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178540
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107299242
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180415
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617
3-[(2,2-dimethylcyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 107175654

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide (CID 104919738) is 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide is C#CC(C)(C)NC(=O)C1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide?
The InChIKey is GXVLCBWHPVGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-13(4,5)14-11(15)10-8-7-9-12(10,2)3/h1,10H,7-9H2,2-5H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide?
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104919738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).