1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide

C14H19IN2O — CID 114257264

IUPAC1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1c(I)cccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H19IN2O/c1-10-11(15)5-4-6-12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3,(H,17,18)
InChIKeyBUBFPHNVEDGIMM-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.06
Rot. Bonds3

About 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 114257264) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID114257264
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1c(I)cccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H19IN2O/c1-10-11(15)5-4-6-12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3,(H,17,18)
InChIKeyBUBFPHNVEDGIMM-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.06
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-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
CID 115447650
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide (CID 114257264) is 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide is Cc1c(I)cccc1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is BUBFPHNVEDGIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10-11(15)5-4-6-12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-9,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 3.06, 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-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114257264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).