2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine

C12H21NO — CID 123827168

IUPAC2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
SMILESCC=CC(=CC)C(N)C1CCOCC1
InChIInChI=1S/C12H21NO/c1-3-5-10(4-2)12(13)11-6-8-14-9-7-11/h3-5,11-12H,6-9,13H2,1-2H3
InChIKeyPOQHLBJPMJIGAN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

About 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine

2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine (PubChem CID 123827168) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
PubChem CID123827168
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
SMILESCC=CC(=CC)C(N)C1CCOCC1
InChIInChI=1S/C12H21NO/c1-3-5-10(4-2)12(13)11-6-8-14-9-7-11/h3-5,11-12H,6-9,13H2,1-2H3
InChIKeyPOQHLBJPMJIGAN-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine?
The IUPAC name of 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine (CID 123827168) is 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine.
What is the SMILES notation for 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine?
The canonical SMILES for 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine is CC=CC(=CC)C(N)C1CCOCC1.
What is the InChIKey of 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine?
The InChIKey is POQHLBJPMJIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-10(4-2)12(13)11-6-8-14-9-7-11/h3-5,11-12H,6-9,13H2,1-2H3.
What are the key properties of 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine?
2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-(oxan-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 123827168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).