N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide

C15H19N3O — CID 79121217

IUPACN-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CCC(N)CC1
InChIInChI=1S/C15H19N3O/c1-18(14-7-5-13(17)6-8-14)15(19)12-4-2-3-11(9-12)10-16/h2-4,9,13-14H,5-8,17H2,1H3
InChIKeyVFLBVUCJBPBTPX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide

N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide (PubChem CID 79121217) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
PubChem CID79121217
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CCC(N)CC1
InChIInChI=1S/C15H19N3O/c1-18(14-7-5-13(17)6-8-14)15(19)12-4-2-3-11(9-12)10-16/h2-4,9,13-14H,5-8,17H2,1H3
InChIKeyVFLBVUCJBPBTPX-UHFFFAOYSA-N
XLogP1.90
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
CID 110872922
3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide (CID 79121217) is N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide is CN(C(=O)c1cccc(C#N)c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide?
The InChIKey is VFLBVUCJBPBTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(14-7-5-13(17)6-8-14)15(19)12-4-2-3-11(9-12)10-16/h2-4,9,13-14H,5-8,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide?
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide is sourced from PubChem (CID 79121217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).