1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

C18H30N2O — CID 63726652

IUPAC1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1CCCOC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-17(10-15(14)2)18(19-3)12-20(4)11-16-6-5-9-21-13-16/h7-8,10,16,18-19H,5-6,9,11-13H2,1-4H3
InChIKeyGNTGQXGGXSKEMT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.92
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 63726652) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
PubChem CID63726652
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1CCCOC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2O/c1-14-7-8-17(10-15(14)2)18(19-3)12-20(4)11-16-6-5-9-21-13-16/h7-8,10,16,18-19H,5-6,9,11-13H2,1-4H3
InChIKeyGNTGQXGGXSKEMT-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N'-dimethylethane-1,2-diamine
CID 62860778
1-(1,3-benzodioxol-5-yl)-N'-(cyclopentylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 63631410
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521298
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
2-(cyclopentylmethoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66321330
N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 63707990

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (CID 63726652) is 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is CNC(CN(C)CC1CCCOC1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is GNTGQXGGXSKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-7-8-17(10-15(14)2)18(19-3)12-20(4)11-16-6-5-9-21-13-16/h7-8,10,16,18-19H,5-6,9,11-13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63726652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).