4-[[(3-methylcyclohexyl)amino]methyl]benzamide

C15H22N2O — CID 43215986

IUPAC4-[[(3-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCCC(NCc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H22N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h5-8,11,14,17H,2-4,9-10H2,1H3,(H2,16,18)
InChIKeyGURYGBBMYHCPIY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.45
Rot. Bonds4

About 4-[[(3-methylcyclohexyl)amino]methyl]benzamide

4-[[(3-methylcyclohexyl)amino]methyl]benzamide (PubChem CID 43215986) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[[(3-methylcyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-methylcyclohexyl)amino]methyl]benzamide
PubChem CID43215986
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[[(3-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCCC(NCc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H22N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h5-8,11,14,17H,2-4,9-10H2,1H3,(H2,16,18)
InChIKeyGURYGBBMYHCPIY-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
4-(3-methylcyclohexyl)benzamide
CID 54069897
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(3-methylcyclohexyl)amino]methyl]benzamide (CID 43215986) is 4-[[(3-methylcyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(3-methylcyclohexyl)amino]methyl]benzamide is CC1CCCC(NCc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The InChIKey is GURYGBBMYHCPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h5-8,11,14,17H,2-4,9-10H2,1H3,(H2,16,18).
What are the key properties of 4-[[(3-methylcyclohexyl)amino]methyl]benzamide?
4-[[(3-methylcyclohexyl)amino]methyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylcyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 43215986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).