(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine

C8H15NO — CID 129090549

IUPAC(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine
SMILESC/C=C\C=C/C(N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-6,8H,7,9H2,1-2H3/b4-3-,6-5-
InChIKeyDOIICKHNUOTUPX-OUPQRBNQSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds4

About (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine

(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine (PubChem CID 129090549) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine
PubChem CID129090549
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine
SMILESC/C=C\C=C/C(N)COC
InChIInChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-6,8H,7,9H2,1-2H3/b4-3-,6-5-
InChIKeyDOIICKHNUOTUPX-OUPQRBNQSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
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 (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine (CID 129090549) is (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine is C/C=C\C=C/C(N)COC.
What is the InChIKey of (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine?
The InChIKey is DOIICKHNUOTUPX-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-8(9)7-10-2/h3-6,8H,7,9H2,1-2H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine?
(3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-methoxyhepta-3,5-dien-2-amine is sourced from PubChem (CID 129090549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).