2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C18H38N2O — CID 63690532

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(CC)CCOCC
InChIInChI=1S/C18H38N2O/c1-6-19-18-10-9-16(15(4)5)13-17(18)14-20(7-2)11-12-21-8-3/h15-19H,6-14H2,1-5H3
InChIKeyVBDICYJRNKKEBM-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.40
Rot. Bonds10

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63690532) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63690532
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(CC)CCOCC
InChIInChI=1S/C18H38N2O/c1-6-19-18-10-9-16(15(4)5)13-17(18)14-20(7-2)11-12-21-8-3/h15-19H,6-14H2,1-5H3
InChIKeyVBDICYJRNKKEBM-UHFFFAOYSA-N
XLogP3.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.40
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

N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 107486534
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63484331
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64522640
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55226538

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 63690532) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CN(CC)CCOCC.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is VBDICYJRNKKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-19-18-10-9-16(15(4)5)13-17(18)14-20(7-2)11-12-21-8-3/h15-19H,6-14H2,1-5H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63690532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).