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

C15H32N2O — CID 113448229

IUPAC1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-4-16-15(14-9-6-5-7-10-14)13-17(2)11-8-12-18-3/h14-16H,4-13H2,1-3H3
InChIKeyDUMSSTMXRPQUKG-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

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

1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 113448229) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID113448229
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CCCOC)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-4-16-15(14-9-6-5-7-10-14)13-17(2)11-8-12-18-3/h14-16H,4-13H2,1-3H3
InChIKeyDUMSSTMXRPQUKG-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 104746059
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 113448229) is 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is CCNC(CN(C)CCCOC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is DUMSSTMXRPQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-16-15(14-9-6-5-7-10-14)13-17(2)11-8-12-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113448229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).