2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine

C10H15NO — CID 143522196

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
SMILESC=C/C=C(\C=C)C1OCCC1N
InChIInChI=1S/C10H15NO/c1-3-5-8(4-2)10-9(11)6-7-12-10/h3-5,9-10H,1-2,6-7,11H2/b8-5+
InChIKeyXMVABEURWNUWQT-VMPITWQZSA-N
MW165.24 g/mol
LogP1.40
Rot. Bonds3

About 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine

2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine (PubChem CID 143522196) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
PubChem CID143522196
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
SMILESC=C/C=C(\C=C)C1OCCC1N
InChIInChI=1S/C10H15NO/c1-3-5-8(4-2)10-9(11)6-7-12-10/h3-5,9-10H,1-2,6-7,11H2/b8-5+
InChIKeyXMVABEURWNUWQT-VMPITWQZSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Oxabicyclo[2.2.1]hept-5-en-2-amine
CID 15476933
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
2,3,4,5-Tetrahydro-1-benzofuran-3-amine
CID 129116475
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
2-(Cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
CID 143456439
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522212
(1S)-1-[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 153680355
3,4-Bis(ethenyl)-2-methoxycyclopent-3-en-1-amine
CID 154687239
(6-methylidene-3,4-dihydro-1H-cyclopenta[c]pyran-1-yl)methanamine
CID 163415695
(1S)-1-[(1R)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 164133826
(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine
CID 55285770

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine (CID 143522196) is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine is C=C/C=C(\C=C)C1OCCC1N.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine?
The InChIKey is XMVABEURWNUWQT-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-8(4-2)10-9(11)6-7-12-10/h3-5,9-10H,1-2,6-7,11H2/b8-5+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine?
2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine is sourced from PubChem (CID 143522196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).