4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide

C11H19N3O — CID 115151274

IUPAC4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(N)(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-3-14(2)10(15)9-4-6-11(13,8-12)7-5-9/h9H,3-7,13H2,1-2H3
InChIKeyRGQJEXXAHGBKJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds2

About 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide

4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide (PubChem CID 115151274) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide
PubChem CID115151274
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(N)(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-3-14(2)10(15)9-4-6-11(13,8-12)7-5-9/h9H,3-7,13H2,1-2H3
InChIKeyRGQJEXXAHGBKJO-UHFFFAOYSA-N
XLogP0.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
CID 115151311
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
CID 115151288
4-amino-4-cyano-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151282
N-ethyl-4-iodo-N-methylcyclohexane-1-carboxamide
CID 121366962
1-amino-4-[methyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115151379
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
CID 115150957
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
4-amino-4-cyano-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 115151266
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115151536
4-(4-acetylpiperazin-1-yl)-1-aminocyclohexane-1-carbonitrile
CID 117038162
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131110445

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide (CID 115151274) is 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide is CCN(C)C(=O)C1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is RGQJEXXAHGBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14(2)10(15)9-4-6-11(13,8-12)7-5-9/h9H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide?
4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyano-N-ethyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).