4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine

C15H29NO — CID 115278675

IUPAC4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine
SMILESCCC1CCCC(C=CCCNCCOC)C1
InChIInChI=1S/C15H29NO/c1-3-14-8-6-9-15(13-14)7-4-5-10-16-11-12-17-2/h4,7,14-16H,3,5-6,8-13H2,1-2H3
InChIKeyUKBOCYUWXSSCOX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds8

About 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine

4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine (PubChem CID 115278675) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine
PubChem CID115278675
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine
SMILESCCC1CCCC(C=CCCNCCOC)C1
InChIInChI=1S/C15H29NO/c1-3-14-8-6-9-15(13-14)7-4-5-10-16-11-12-17-2/h4,7,14-16H,3,5-6,8-13H2,1-2H3
InChIKeyUKBOCYUWXSSCOX-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The IUPAC name of 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine (CID 115278675) is 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The canonical SMILES for 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine is CCC1CCCC(C=CCCNCCOC)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The InChIKey is UKBOCYUWXSSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-14-8-6-9-15(13-14)7-4-5-10-16-11-12-17-2/h4,7,14-16H,3,5-6,8-13H2,1-2H3.
What are the key properties of 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine?
4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)-N-(2-methoxyethyl)but-3-en-1-amine is sourced from PubChem (CID 115278675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).