N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide

C12H20N2O — CID 79005605

IUPACN-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)C#N)CC1
InChIInChI=1S/C12H20N2O/c1-9-4-6-10(7-5-9)11(15)14-12(2,3)8-13/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyPTANZXUEURMAJH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide

N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 79005605) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID79005605
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C)(C)C#N)CC1
InChIInChI=1S/C12H20N2O/c1-9-4-6-10(7-5-9)11(15)14-12(2,3)8-13/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyPTANZXUEURMAJH-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192
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CID 107126662
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
4-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 79527650
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
N-(2-cyanopropan-2-yl)propanamide
CID 22972527
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
CID 79601921
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide
CID 65018271
2-(2-cyanopropan-2-ylamino)-2-oxoacetic acid
CID 82280208
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide (CID 79005605) is N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C)(C)C#N)CC1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is PTANZXUEURMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-4-6-10(7-5-9)11(15)14-12(2,3)8-13/h9-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide?
N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79005605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).