2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine

C12H19NO — CID 143195163

IUPAC2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine
SMILESC=C/C=C\C=C\C1CCC(CCN)O1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-11-7-8-12(14-11)9-10-13/h2-6,11-12H,1,7-10,13H2/b4-3-,6-5+
InChIKeyHNAWVDCMOWXZBE-DNVGVPOPSA-N
MW193.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine

2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine (PubChem CID 143195163) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine
PubChem CID143195163
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine
SMILESC=C/C=C\C=C\C1CCC(CCN)O1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-11-7-8-12(14-11)9-10-13/h2-6,11-12H,1,7-10,13H2/b4-3-,6-5+
InChIKeyHNAWVDCMOWXZBE-DNVGVPOPSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
CID 22004817
2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
CID 22004818
3-Cyclohex-2-en-1-yloxypentan-1-amine
CID 142274343
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
2-[5-[2-[(6Z,8Z)-2-methoxycyclodeca-1,3,6,8-tetraen-1-yl]ethyl]oxolan-2-yl]ethanamine
CID 173296999
(E)-4-(5-methyloxolan-2-yl)but-3-en-1-amine
CID 82840053
3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411991
3-(3-Amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine
CID 157147565

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine (CID 143195163) is 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine is C=C/C=C\C=C\C1CCC(CCN)O1.
What is the InChIKey of 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine?
The InChIKey is HNAWVDCMOWXZBE-DNVGVPOPSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-11-7-8-12(14-11)9-10-13/h2-6,11-12H,1,7-10,13H2/b4-3-,6-5+.
What are the key properties of 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine?
2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 143195163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).