N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide

C15H22N2O — CID 54939453

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H22N2O/c1-17(15(18)14-4-2-3-5-14)11-13-8-6-12(10-16)7-9-13/h6-9,14H,2-5,10-11,16H2,1H3
InChIKeyWWDAIDKMVMFFAK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.29
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide

N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide (PubChem CID 54939453) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
PubChem CID54939453
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H22N2O/c1-17(15(18)14-4-2-3-5-14)11-13-8-6-12(10-16)7-9-13/h6-9,14H,2-5,10-11,16H2,1H3
InChIKeyWWDAIDKMVMFFAK-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
CID 55149191
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide (CID 54939453) is N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide is CN(Cc1ccc(CN)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide?
The InChIKey is WWDAIDKMVMFFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(15(18)14-4-2-3-5-14)11-13-8-6-12(10-16)7-9-13/h6-9,14H,2-5,10-11,16H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 54939453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).