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

C17H36N2O2 — CID 104745409

IUPAC1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCNC(CN(CCCOC)CCOC)C1CCCCC1
InChIInChI=1S/C17H36N2O2/c1-4-18-17(16-9-6-5-7-10-16)15-19(12-14-21-3)11-8-13-20-2/h16-18H,4-15H2,1-3H3
InChIKeyJZERFKJMUVDZPL-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds12

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

1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 104745409) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID104745409
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCNC(CN(CCCOC)CCOC)C1CCCCC1
InChIInChI=1S/C17H36N2O2/c1-4-18-17(16-9-6-5-7-10-16)15-19(12-14-21-3)11-8-13-20-2/h16-18H,4-15H2,1-3H3
InChIKeyJZERFKJMUVDZPL-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine (CID 104745409) is 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is CCNC(CN(CCCOC)CCOC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is JZERFKJMUVDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-4-18-17(16-9-6-5-7-10-16)15-19(12-14-21-3)11-8-13-20-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 104745409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).