N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide

C13H22N2O — CID 104917287

IUPACN-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-15(10-8-14)12(16)11-6-5-7-13(11,2)3/h11H,4-7,9-10H2,1-3H3
InChIKeyJPDXIBSDXNVYPC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.57
Rot. Bonds4

About N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide

N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide (PubChem CID 104917287) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
PubChem CID104917287
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-15(10-8-14)12(16)11-6-5-7-13(11,2)3/h11H,4-7,9-10H2,1-3H3
InChIKeyJPDXIBSDXNVYPC-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide (CID 104917287) is N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide is CCCN(CC#N)C(=O)C1CCCC1(C)C.
What is the InChIKey of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide?
The InChIKey is JPDXIBSDXNVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-15(10-8-14)12(16)11-6-5-7-13(11,2)3/h11H,4-7,9-10H2,1-3H3.
What are the key properties of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide?
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide is sourced from PubChem (CID 104917287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).