3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C15H31NO — CID 64666288

IUPAC3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCC1CCCC(CC(C)CNCCOC)C1
InChIInChI=1S/C15H31NO/c1-4-14-6-5-7-15(11-14)10-13(2)12-16-8-9-17-3/h13-16H,4-12H2,1-3H3
InChIKeyJHBVFJCECHQOSL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds8

About 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 64666288) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID64666288
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCC1CCCC(CC(C)CNCCOC)C1
InChIInChI=1S/C15H31NO/c1-4-14-6-5-7-15(11-14)10-13(2)12-16-8-9-17-3/h13-16H,4-12H2,1-3H3
InChIKeyJHBVFJCECHQOSL-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662
4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 115278675
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
CID 62718489
4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79606917
2-cyclobutyloxy-N-(2-methoxyethyl)propan-1-amine
CID 62582703
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225307
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 64666288) is 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is CCC1CCCC(CC(C)CNCCOC)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is JHBVFJCECHQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-14-6-5-7-15(11-14)10-13(2)12-16-8-9-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64666288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).