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

C18H28N2O — CID 62558489

IUPACN-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(CN(C)CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H28N2O/c1-20(13-14-4-3-5-17(12-14)21-2)11-10-19-18(15-6-7-15)16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3
InChIKeyHWYPCEGCZZNBJU-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.91
Rot. Bonds9

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

N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62558489) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62558489
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(CN(C)CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H28N2O/c1-20(13-14-4-3-5-17(12-14)21-2)11-10-19-18(15-6-7-15)16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3
InChIKeyHWYPCEGCZZNBJU-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556922
(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 112736512
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62558489) is N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is COc1cccc(CN(C)CCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is HWYPCEGCZZNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(13-14-4-3-5-17(12-14)21-2)11-10-19-18(15-6-7-15)16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62558489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).