3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide

C15H23N3O — CID 112578623

IUPAC3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
SMILESCC1CCCCC1CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H23N3O/c1-10-5-2-3-6-11(10)9-18-14-12(15(17)19)7-4-8-13(14)16/h4,7-8,10-11,18H,2-3,5-6,9,16H2,1H3,(H2,17,19)
InChIKeyYEABZUMSBGVIFR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide

3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide (PubChem CID 112578623) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
PubChem CID112578623
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
SMILESCC1CCCCC1CNc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H23N3O/c1-10-5-2-3-6-11(10)9-18-14-12(15(17)19)7-4-8-13(14)16/h4,7-8,10-11,18H,2-3,5-6,9,16H2,1H3,(H2,17,19)
InChIKeyYEABZUMSBGVIFR-UHFFFAOYSA-N
XLogP2.61
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-[(2-methylcyclohexyl)methylamino]benzoate
CID 115934645
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
CID 115550610
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
3-amino-2-(1,4-dithian-2-ylmethylamino)benzamide
CID 113489575
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
ethyl 3-amino-2-(cyclobutylmethylamino)benzoate
CID 112578067
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide?
The IUPAC name of 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide (CID 112578623) is 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide is CC1CCCCC1CNc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide?
The InChIKey is YEABZUMSBGVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-2-3-6-11(10)9-18-14-12(15(17)19)7-4-8-13(14)16/h4,7-8,10-11,18H,2-3,5-6,9,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide?
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide is sourced from PubChem (CID 112578623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).