4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride

C14H20ClN3O — CID 67605015

IUPAC4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19N3O.ClH/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H4,15,16,17,18);1H
InChIKeyJKYZGMNTPURHBZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.57
Rot. Bonds2

About 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride

4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride (PubChem CID 67605015) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride
PubChem CID67605015
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19N3O.ClH/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H4,15,16,17,18);1H
InChIKeyJKYZGMNTPURHBZ-UHFFFAOYSA-N
XLogP2.57
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22077764
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
4-cyclopentylbenzenecarbothioamide
CID 83387162
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-(4-cyclohexylphenyl)-N-(diaminomethylidene)-1-oxoisoquinoline-4-carboxamide
CID 19937568
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
CID 19261549
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride?
The IUPAC name of 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride (CID 67605015) is 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride?
The canonical SMILES for 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride?
The InChIKey is JKYZGMNTPURHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H4,15,16,17,18);1H.
What are the key properties of 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride?
4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(diaminomethylidene)benzamide;hydrochloride is sourced from PubChem (CID 67605015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).