N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine

C18H30N2O — CID 62271920

IUPACN-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-5-18(2,13-19-16-9-10-16)14-20(3)12-15-7-6-8-17(11-15)21-4/h6-8,11,16,19H,5,9-10,12-14H2,1-4H3
InChIKeyAIRRVNAASOZQIH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds9

About N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine

N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 62271920) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID62271920
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-5-18(2,13-19-16-9-10-16)14-20(3)12-15-7-6-8-17(11-15)21-4/h6-8,11,16,19H,5,9-10,12-14H2,1-4H3
InChIKeyAIRRVNAASOZQIH-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

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Related Compounds

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
2-ethyl-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]butanal
CID 55051892
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62278153
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine (CID 62271920) is N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC1CC1)CN(C)Cc1cccc(OC)c1.
What is the InChIKey of N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is AIRRVNAASOZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-18(2,13-19-16-9-10-16)14-20(3)12-15-7-6-8-17(11-15)21-4/h6-8,11,16,19H,5,9-10,12-14H2,1-4H3.
What are the key properties of N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62271920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).