(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine

C11H19NO — CID 88585562

IUPAC(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
SMILESC=C(/C=C\C(=C/C)CC(C)N)OC
InChIInChI=1S/C11H19NO/c1-5-11(8-9(2)12)7-6-10(3)13-4/h5-7,9H,3,8,12H2,1-2,4H3/b7-6-,11-5+
InChIKeyJCHWNGVTHUECMQ-TUKAJDRUSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine

(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine (PubChem CID 88585562) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
PubChem CID88585562
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
SMILESC=C(/C=C\C(=C/C)CC(C)N)OC
InChIInChI=1S/C11H19NO/c1-5-11(8-9(2)12)7-6-10(3)13-4/h5-7,9H,3,8,12H2,1-2,4H3/b7-6-,11-5+
InChIKeyJCHWNGVTHUECMQ-TUKAJDRUSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine?
The IUPAC name of (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine (CID 88585562) is (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine.
What is the SMILES notation for (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine?
The canonical SMILES for (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine is C=C(/C=C\C(=C/C)CC(C)N)OC.
What is the InChIKey of (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine?
The InChIKey is JCHWNGVTHUECMQ-TUKAJDRUSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-11(8-9(2)12)7-6-10(3)13-4/h5-7,9H,3,8,12H2,1-2,4H3/b7-6-,11-5+.
What are the key properties of (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine?
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine is sourced from PubChem (CID 88585562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).