1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide

C15H21IN2O — CID 115437382

IUPAC1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCCCC2)cc1I
InChIInChI=1S/C15H21IN2O/c1-11-5-6-12(9-13(11)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19)
InChIKeyGCFSQNPJMCSCNY-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.45
Rot. Bonds3

About 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 115437382) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID115437382
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCCCC2)cc1I
InChIInChI=1S/C15H21IN2O/c1-11-5-6-12(9-13(11)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19)
InChIKeyGCFSQNPJMCSCNY-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.45
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

1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697626
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide (CID 115437382) is 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(CN)CCCCC2)cc1I.
What is the InChIKey of 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GCFSQNPJMCSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-11-5-6-12(9-13(11)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 372.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).