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

C14H24N2O — CID 107178551

IUPACN-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-4-10-16(11-9-15)13(17)12-7-5-6-8-14(12,2)3/h12H,4-8,10-11H2,1-3H3
InChIKeyDRHLRIIOJBVCRM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.96
Rot. Bonds4

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

N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide (PubChem CID 107178551) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
PubChem CID107178551
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-4-10-16(11-9-15)13(17)12-7-5-6-8-14(12,2)3/h12H,4-8,10-11H2,1-3H3
InChIKeyDRHLRIIOJBVCRM-UHFFFAOYSA-N
XLogP2.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-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-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
CID 104917287
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107184321
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 107180947
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide (CID 107178551) is N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide is CCCN(CC#N)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is DRHLRIIOJBVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-10-16(11-9-15)13(17)12-7-5-6-8-14(12,2)3/h12H,4-8,10-11H2,1-3H3.
What are the key properties of N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide?
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.96, 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-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).