1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

C17H28N2O — CID 104745745

IUPAC1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-18-17(14-8-5-4-6-9-14)13-19(2)15-10-7-11-16(12-15)20-3/h7,10-12,14,17-18H,4-6,8-9,13H2,1-3H3
InChIKeyQMVMRJUNVXAZQM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds6

About 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine

1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 104745745) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID104745745
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-18-17(14-8-5-4-6-9-14)13-19(2)15-10-7-11-16(12-15)20-3/h7,10-12,14,17-18H,4-6,8-9,13H2,1-3H3
InChIKeyQMVMRJUNVXAZQM-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 104745754
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
2-[(3-methoxy-N-methylanilino)methyl]cyclopentan-1-one
CID 62611884
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine (CID 104745745) is 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)c1cccc(OC)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QMVMRJUNVXAZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-17(14-8-5-4-6-9-14)13-19(2)15-10-7-11-16(12-15)20-3/h7,10-12,14,17-18H,4-6,8-9,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine?
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104745745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).