(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine

C23H37N — CID 134256600

IUPAC(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine
SMILESC=C/C=C(N)\C=C/CC(C)C/C(=C\C)CCCCC/C(C)=C/C=C
InChIInChI=1S/C23H37N/c1-6-13-20(4)15-10-9-11-17-22(8-3)19-21(5)16-12-18-23(24)14-7-2/h6-8,12-14,18,21H,1-2,9-11,15-17,19,24H2,3-5H3/b18-12-,20-13+,22-8-,23-14+
InChIKeyJHDOZMJCDDRMKH-YBEPDABFSA-N
MW327.56 g/mol
LogP7.02
Rot. Bonds13

About (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine

(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine (PubChem CID 134256600) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine.

Molecular Properties

Compound Name(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine
PubChem CID134256600
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine
SMILESC=C/C=C(N)\C=C/CC(C)C/C(=C\C)CCCCC/C(C)=C/C=C
InChIInChI=1S/C23H37N/c1-6-13-20(4)15-10-9-11-17-22(8-3)19-21(5)16-12-18-23(24)14-7-2/h6-8,12-14,18,21H,1-2,9-11,15-17,19,24H2,3-5H3/b18-12-,20-13+,22-8-,23-14+
InChIKeyJHDOZMJCDDRMKH-YBEPDABFSA-N
XLogP7.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine?
The IUPAC name of (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine (CID 134256600) is (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine.
What is the SMILES notation for (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine?
The canonical SMILES for (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine is C=C/C=C(N)\C=C/CC(C)C/C(=C\C)CCCCC/C(C)=C/C=C.
What is the InChIKey of (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine?
The InChIKey is JHDOZMJCDDRMKH-YBEPDABFSA-N. The full InChI is InChI=1S/C23H37N/c1-6-13-20(4)15-10-9-11-17-22(8-3)19-21(5)16-12-18-23(24)14-7-2/h6-8,12-14,18,21H,1-2,9-11,15-17,19,24H2,3-5H3/b18-12-,20-13+,22-8-,23-14+.
What are the key properties of (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine?
(3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine has a molecular weight of 327.56 g/mol, XLogP of 7.02, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,10Z,16E)-10-ethylidene-8,16-dimethylnonadeca-1,3,5,16,18-pentaen-4-amine is sourced from PubChem (CID 134256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).