N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide

C12H20N2O — CID 104919622

IUPACN-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H20N2O/c1-9(7-13)8-14-11(15)10-5-4-6-12(10,2)3/h9-10H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyLBNMOTANEPFYPR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.09
Rot. Bonds3

About N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104919622) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104919622
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H20N2O/c1-9(7-13)8-14-11(15)10-5-4-6-12(10,2)3/h9-10H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyLBNMOTANEPFYPR-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
CID 127001216
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104916891
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104919622) is N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide is CC(C#N)CNC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is LBNMOTANEPFYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(7-13)8-14-11(15)10-5-4-6-12(10,2)3/h9-10H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).