(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine

C15H23N — CID 88953847

IUPAC(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine
SMILESC=C/C=C\C=C/CC(N)/C(=C/C=C\C)CC
InChIInChI=1S/C15H23N/c1-4-7-9-10-11-13-15(16)14(6-3)12-8-5-2/h4-5,7-12,15H,1,6,13,16H2,2-3H3/b8-5-,9-7-,11-10-,14-12+
InChIKeyGVKWBBZOAXAWDY-MJQHDDIQSA-N
MW217.36 g/mol
LogP3.91
Rot. Bonds7

About (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine

(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine (PubChem CID 88953847) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine.

Molecular Properties

Compound Name(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine
PubChem CID88953847
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine
SMILESC=C/C=C\C=C/CC(N)/C(=C/C=C\C)CC
InChIInChI=1S/C15H23N/c1-4-7-9-10-11-13-15(16)14(6-3)12-8-5-2/h4-5,7-12,15H,1,6,13,16H2,2-3H3/b8-5-,9-7-,11-10-,14-12+
InChIKeyGVKWBBZOAXAWDY-MJQHDDIQSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.91
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 (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine?
The IUPAC name of (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine (CID 88953847) is (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine.
What is the SMILES notation for (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine?
The canonical SMILES for (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine is C=C/C=C\C=C/CC(N)/C(=C/C=C\C)CC.
What is the InChIKey of (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine?
The InChIKey is GVKWBBZOAXAWDY-MJQHDDIQSA-N. The full InChI is InChI=1S/C15H23N/c1-4-7-9-10-11-13-15(16)14(6-3)12-8-5-2/h4-5,7-12,15H,1,6,13,16H2,2-3H3/b8-5-,9-7-,11-10-,14-12+.
What are the key properties of (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine?
(2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine has a molecular weight of 217.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8Z,10Z)-5-ethyltrideca-2,4,8,10,12-pentaen-6-amine is sourced from PubChem (CID 88953847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).