1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine

C14H27NO — CID 116764002

IUPAC1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1(OCC)CCCCC1
InChIInChI=1S/C14H27NO/c1-4-10-13(15-5-2)14(16-6-3)11-8-7-9-12-14/h4,13,15H,1,5-12H2,2-3H3
InChIKeyULGCEBGKPGJIKY-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine

1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine (PubChem CID 116764002) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine
PubChem CID116764002
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1(OCC)CCCCC1
InChIInChI=1S/C14H27NO/c1-4-10-13(15-5-2)14(16-6-3)11-8-7-9-12-14/h4,13,15H,1,5-12H2,2-3H3
InChIKeyULGCEBGKPGJIKY-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine (CID 116764002) is 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine is C=CCC(NCC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine?
The InChIKey is ULGCEBGKPGJIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-10-13(15-5-2)14(16-6-3)11-8-7-9-12-14/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine?
1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 116764002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).