N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C18H30N2O — CID 62558136

IUPACN-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(CN(C)CCNCC2CCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-20(15-17-9-6-10-18(13-17)21-2)12-11-19-14-16-7-4-3-5-8-16/h6,9-10,13,16,19H,3-5,7-8,11-12,14-15H2,1-2H3
InChIKeyPAWPZYXZMYVTIV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds8

About N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62558136) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62558136
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(CN(C)CCNCC2CCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-20(15-17-9-6-10-18(13-17)21-2)12-11-19-14-16-7-4-3-5-8-16/h6,9-10,13,16,19H,3-5,7-8,11-12,14-15H2,1-2H3
InChIKeyPAWPZYXZMYVTIV-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556922
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62558136) is N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is COc1cccc(CN(C)CCNCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is PAWPZYXZMYVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(15-17-9-6-10-18(13-17)21-2)12-11-19-14-16-7-4-3-5-8-16/h6,9-10,13,16,19H,3-5,7-8,11-12,14-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62558136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).