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

C11H17NO — CID 143522212

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
SMILESC=C/C(=C\C=C/C)C1OCCC1N
InChIInChI=1S/C11H17NO/c1-3-5-6-9(4-2)11-10(12)7-8-13-11/h3-6,10-11H,2,7-8,12H2,1H3/b5-3-,9-6+
InChIKeyQCXNVMVBUKKPSI-PAEKIZANSA-N
MW179.26 g/mol
LogP1.79
Rot. Bonds3

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

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine (PubChem CID 143522212) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
PubChem CID143522212
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
SMILESC=C/C(=C\C=C/C)C1OCCC1N
InChIInChI=1S/C11H17NO/c1-3-5-6-9(4-2)11-10(12)7-8-13-11/h3-6,10-11H,2,7-8,12H2,1H3/b5-3-,9-6+
InChIKeyQCXNVMVBUKKPSI-PAEKIZANSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.79
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

2,3-Dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
CID 89073822
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
CID 129016069
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)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522196
(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
CID 143585699
(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
(1S)-1-[(1R)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 164133826
[(4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 173681824

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine (CID 143522212) is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine is C=C/C(=C\C=C/C)C1OCCC1N.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine?
The InChIKey is QCXNVMVBUKKPSI-PAEKIZANSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-6-9(4-2)11-10(12)7-8-13-11/h3-6,10-11H,2,7-8,12H2,1H3/b5-3-,9-6+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine?
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine has a molecular weight of 179.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine is sourced from PubChem (CID 143522212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).