(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine

C13H21NO — CID 143134686

IUPAC(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine
SMILESC=CCOC(=C)/C=C\C/C(=C\C)CCN
InChIInChI=1S/C13H21NO/c1-4-11-15-12(3)7-6-8-13(5-2)9-10-14/h4-7H,1,3,8-11,14H2,2H3/b7-6-,13-5+
InChIKeyAZEZLTABFLTVBO-ZQNRWWJISA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds8

About (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine

(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine (PubChem CID 143134686) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine
PubChem CID143134686
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine
SMILESC=CCOC(=C)/C=C\C/C(=C\C)CCN
InChIInChI=1S/C13H21NO/c1-4-11-15-12(3)7-6-8-13(5-2)9-10-14/h4-7H,1,3,8-11,14H2,2H3/b7-6-,13-5+
InChIKeyAZEZLTABFLTVBO-ZQNRWWJISA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine?
The IUPAC name of (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine (CID 143134686) is (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine.
What is the SMILES notation for (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine?
The canonical SMILES for (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine is C=CCOC(=C)/C=C\C/C(=C\C)CCN.
What is the InChIKey of (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine?
The InChIKey is AZEZLTABFLTVBO-ZQNRWWJISA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-15-12(3)7-6-8-13(5-2)9-10-14/h4-7H,1,3,8-11,14H2,2H3/b7-6-,13-5+.
What are the key properties of (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine?
(3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethylidene-7-prop-2-enoxyocta-5,7-dien-1-amine is sourced from PubChem (CID 143134686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).