3-amino-N-(1,4-dimethylcyclohexyl)benzamide

C15H22N2O — CID 119765803

IUPAC3-amino-N-(1,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(C)(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O/c1-11-6-8-15(2,9-7-11)17-14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyYNRSONZLEWLZCE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.97
Rot. Bonds2

About 3-amino-N-(1,4-dimethylcyclohexyl)benzamide

3-amino-N-(1,4-dimethylcyclohexyl)benzamide (PubChem CID 119765803) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-(1,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1,4-dimethylcyclohexyl)benzamide
PubChem CID119765803
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-(1,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(C)(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O/c1-11-6-8-15(2,9-7-11)17-14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyYNRSONZLEWLZCE-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
CID 119783133
3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
CID 119758396
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-N-(1,4-dimethylcyclohexyl)benzamide (CID 119765803) is 3-amino-N-(1,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-N-(1,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-N-(1,4-dimethylcyclohexyl)benzamide is CC1CCC(C)(NC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-(1,4-dimethylcyclohexyl)benzamide?
The InChIKey is YNRSONZLEWLZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-8-15(2,9-7-11)17-14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(1,4-dimethylcyclohexyl)benzamide?
3-amino-N-(1,4-dimethylcyclohexyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 119765803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).