(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine

C10H15N — CID 89088710

IUPAC(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine
SMILESC=C/C=C\C(=C\C)\C(N)=C/C
InChIInChI=1S/C10H15N/c1-4-7-8-9(5-2)10(11)6-3/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6+
InChIKeyLCHRKSJYWCANOK-HPVYWINVSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine

(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine (PubChem CID 89088710) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine
PubChem CID89088710
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine
SMILESC=C/C=C\C(=C\C)\C(N)=C/C
InChIInChI=1S/C10H15N/c1-4-7-8-9(5-2)10(11)6-3/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6+
InChIKeyLCHRKSJYWCANOK-HPVYWINVSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine?
The IUPAC name of (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine (CID 89088710) is (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine.
What is the SMILES notation for (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine?
The canonical SMILES for (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine is C=C/C=C\C(=C\C)\C(N)=C/C.
What is the InChIKey of (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine?
The InChIKey is LCHRKSJYWCANOK-HPVYWINVSA-N. The full InChI is InChI=1S/C10H15N/c1-4-7-8-9(5-2)10(11)6-3/h4-8H,1,11H2,2-3H3/b8-7-,9-5-,10-6+.
What are the key properties of (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine?
(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine is sourced from PubChem (CID 89088710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).