4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine

C15H31NO — CID 105008032

IUPAC4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)COCC
InChIInChI=1S/C15H31NO/c1-3-12-16-15(13-17-4-2)11-10-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3
InChIKeyGAQVEJHGEFDNDQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine

4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine (PubChem CID 105008032) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
PubChem CID105008032
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)COCC
InChIInChI=1S/C15H31NO/c1-3-12-16-15(13-17-4-2)11-10-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3
InChIKeyGAQVEJHGEFDNDQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
CID 105157860
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
CID 62605609
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine (CID 105008032) is 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine is CCCNC(CCC1CCCCC1)COCC.
What is the InChIKey of 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine?
The InChIKey is GAQVEJHGEFDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-12-16-15(13-17-4-2)11-10-14-8-6-5-7-9-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine?
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).