4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine

C13H21NO — CID 163495377

IUPAC4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine
SMILESC=CCCOC(CCCN)=C(C=C)C=C
InChIInChI=1S/C13H21NO/c1-4-7-11-15-13(9-8-10-14)12(5-2)6-3/h4-6H,1-3,7-11,14H2
InChIKeyCQGCLZZFZXYFEV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds9

About 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine

4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine (PubChem CID 163495377) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine
PubChem CID163495377
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine
SMILESC=CCCOC(CCCN)=C(C=C)C=C
InChIInChI=1S/C13H21NO/c1-4-7-11-15-13(9-8-10-14)12(5-2)6-3/h4-6H,1-3,7-11,14H2
InChIKeyCQGCLZZFZXYFEV-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-[(3Z,5Z)-3-[(E)-2-fluoroethenyl]hepta-3,5-dienoxy]-2-methylhexa-2,4-dien-1-amine
CID 144161716
2-(Oxepin-4-yl)ethanamine
CID 21621507
3-(Oxepin-2-yl)propan-1-amine
CID 57093159
2,3,6,7-Tetrahydro-1-benzofuran-6-ylmethanamine
CID 89418546
4-Cyclohexa-1,3-dien-1-yloxybutan-1-amine
CID 123854366
(Z)-3-methylidene-1-[(2E)-4-methylpenta-2,4-dien-2-yl]oxyhex-4-en-2-amine
CID 132206344
(6-Methoxycyclohepta-1,3,5-trien-1-yl)methanamine
CID 143609501
(3Z,5E)-6-ethoxy-3-[(E)-2-methoxyprop-1-enyl]hepta-3,5-dien-1-amine
CID 144020851
(3Z,5E)-6-methoxy-3-[(E)-2-methoxyethenyl]hepta-3,5-dien-1-amine
CID 144485487
4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine
CID 145061779
4-[(1E,3Z,5Z,7Z)-cyclonona-1,3,5,7-tetraen-1-yl]oxybutan-1-amine
CID 163818541
(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 170759622

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine?
The IUPAC name of 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine (CID 163495377) is 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine.
What is the SMILES notation for 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine?
The canonical SMILES for 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine is C=CCCOC(CCCN)=C(C=C)C=C.
What is the InChIKey of 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine?
The InChIKey is CQGCLZZFZXYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-11-15-13(9-8-10-14)12(5-2)6-3/h4-6H,1-3,7-11,14H2.
What are the key properties of 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine?
4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-5-ethenylhepta-4,6-dien-1-amine is sourced from PubChem (CID 163495377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).