1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

C13H28N2O — CID 104746059

IUPAC1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCOCCCN(C)CC(N)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-15(9-6-10-16-2)11-13(14)12-7-4-3-5-8-12/h12-13H,3-11,14H2,1-2H3
InChIKeyADWCZGNGFCKRHH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 104746059) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID104746059
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCOCCCN(C)CC(N)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-15(9-6-10-16-2)11-13(14)12-7-4-3-5-8-12/h12-13H,3-11,14H2,1-2H3
InChIKeyADWCZGNGFCKRHH-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
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

1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 104746719
1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 63914300
1-cyclohexyl-2-(2-methoxyethoxy)ethanamine
CID 104748661
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
2-amino-3-cyclohexyl-N-(3-methoxypropyl)-N-methylpropanamide
CID 114264774
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
CID 63010066
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 104746059) is 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is COCCCN(C)CC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is ADWCZGNGFCKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-15(9-6-10-16-2)11-13(14)12-7-4-3-5-8-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104746059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).