3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine

C15H31NO — CID 55095359

IUPAC3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
SMILESCCCCOCCC(NCC)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h14-16H,3-13H2,1-2H3
InChIKeyYUQUINQFRUAWLB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine

3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine (PubChem CID 55095359) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
PubChem CID55095359
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
SMILESCCCCOCCC(NCC)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h14-16H,3-13H2,1-2H3
InChIKeyYUQUINQFRUAWLB-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

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-1-(oxan-3-yl)-3-propoxypropan-1-amine
CID 107138944
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
(1-cyclohexyl-3-ethoxypropyl)hydrazine
CID 105282116
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
(5-butoxy-1-cyclooctylpentyl)cyclooctane
CID 57036242

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine?
The IUPAC name of 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine (CID 55095359) is 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine is CCCCOCCC(NCC)C1CCCCC1.
What is the InChIKey of 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine?
The InChIKey is YUQUINQFRUAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-12-17-13-11-15(16-4-2)14-9-7-6-8-10-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine?
3-butoxy-1-cyclohexyl-N-ethylpropan-1-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 3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine is sourced from PubChem (CID 55095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).