4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine

C15H29NO2 — CID 140689772

IUPAC4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOC1CCCC(OCC)C1
InChIInChI=1S/C15H29NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,14-16H,1,4-13H2,2H3
InChIKeyPWHUEQATARCABM-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.91
Rot. Bonds10

About 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine

4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine (PubChem CID 140689772) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine
PubChem CID140689772
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOC1CCCC(OCC)C1
InChIInChI=1S/C15H29NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,14-16H,1,4-13H2,2H3
InChIKeyPWHUEQATARCABM-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine?
The IUPAC name of 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine (CID 140689772) is 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine is C=CCNCCCCOC1CCCC(OCC)C1.
What is the InChIKey of 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine?
The InChIKey is PWHUEQATARCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,14-16H,1,4-13H2,2H3.
What are the key properties of 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine?
4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxycyclohexyl)oxy-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 140689772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).