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

C18H28N2O — CID 65019365

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)C1CCCCCCC1
InChIInChI=1S/C18H28N2O/c1-20(14-16-11-9-15(13-19)10-12-16)18(21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-14,19H2,1H3
InChIKeyXJJHAEQMXORYQM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.46
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide (PubChem CID 65019365) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
PubChem CID65019365
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
SMILESCN(Cc1ccc(CN)cc1)C(=O)C1CCCCCCC1
InChIInChI=1S/C18H28N2O/c1-20(14-16-11-9-15(13-19)10-12-16)18(21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-14,19H2,1H3
InChIKeyXJJHAEQMXORYQM-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
CID 55149191
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide (CID 65019365) is N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide is CN(Cc1ccc(CN)cc1)C(=O)C1CCCCCCC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide?
The InChIKey is XJJHAEQMXORYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(14-16-11-9-15(13-19)10-12-16)18(21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-14,19H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.46, 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-methylcyclooctanecarboxamide is sourced from PubChem (CID 65019365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).