1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C16H33NO2 — CID 106447381

IUPAC1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCC(C)C)C1CCCCC1
InChIInChI=1S/C16H33NO2/c1-4-17-16(15-8-6-5-7-9-15)13-19-11-10-18-12-14(2)3/h14-17H,4-13H2,1-3H3
InChIKeySWVJKIXGZYUGOS-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.23
Rot. Bonds10

About 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106447381) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106447381
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCC(C)C)C1CCCCC1
InChIInChI=1S/C16H33NO2/c1-4-17-16(15-8-6-5-7-9-15)13-19-11-10-18-12-14(2)3/h14-17H,4-13H2,1-3H3
InChIKeySWVJKIXGZYUGOS-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.23
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-2-(2-methoxyethoxy)ethanamine
CID 104748657
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
CID 106447324
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
1-cyclopropyl-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447297
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclopentyl-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102605900
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106447381) is 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CCNC(COCCOCC(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is SWVJKIXGZYUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-17-16(15-8-6-5-7-9-15)13-19-11-10-18-12-14(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 271.44 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106447381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).