N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride

C15H22ClIN2O — CID 119610198

IUPACN-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCCC2CN)c1I.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17;/h4-5,7,11,13H,2-3,6,8-9,17H2,1H3,(H,18,19);1H
InChIKeyJKJYCXSFXDLDNK-UHFFFAOYSA-N
MW408.71 g/mol
LogP3.27
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride (PubChem CID 119610198) has the molecular formula C15H22ClIN2O and a molecular weight of 408.71 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
PubChem CID119610198
Molecular FormulaC15H22ClIN2O
Molecular Weight408.71 g/mol
Exact Mass408.05
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCCC2CN)c1I.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17;/h4-5,7,11,13H,2-3,6,8-9,17H2,1H3,(H,18,19);1H
InChIKeyJKJYCXSFXDLDNK-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride (CID 119610198) is N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC2CCCCC2CN)c1I.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride?
The InChIKey is JKJYCXSFXDLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O.ClH/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17;/h4-5,7,11,13H,2-3,6,8-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride has a molecular weight of 408.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119610198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).