(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine

C21H31N — CID 144508430

IUPAC(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine
SMILESC=CC(=C\C=C/C)/C(/C=C(\N)C(C)/C=C(/C)C/C=C\C)=C/C
InChIInChI=1S/C21H31N/c1-7-11-13-17(5)15-18(6)21(22)16-20(10-4)19(9-3)14-12-8-2/h7-12,14-16,18H,3,13,22H2,1-2,4-6H3/b11-7-,12-8-,17-15-,19-14+,20-10+,21-16-
InChIKeyBRNIJRJWPTVOIE-UIFSVGEHSA-N
MW297.49 g/mol
LogP6.01
Rot. Bonds8

About (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine

(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine (PubChem CID 144508430) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine.

Molecular Properties

Compound Name(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine
PubChem CID144508430
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine
SMILESC=CC(=C\C=C/C)/C(/C=C(\N)C(C)/C=C(/C)C/C=C\C)=C/C
InChIInChI=1S/C21H31N/c1-7-11-13-17(5)15-18(6)21(22)16-20(10-4)19(9-3)14-12-8-2/h7-12,14-16,18H,3,13,22H2,1-2,4-6H3/b11-7-,12-8-,17-15-,19-14+,20-10+,21-16-
InChIKeyBRNIJRJWPTVOIE-UIFSVGEHSA-N
XLogP6.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine with MolForge

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Related Compounds

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(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
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CID 20695244
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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine?
The IUPAC name of (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine (CID 144508430) is (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine.
What is the SMILES notation for (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine?
The canonical SMILES for (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine is C=CC(=C\C=C/C)/C(/C=C(\N)C(C)/C=C(/C)C/C=C\C)=C/C.
What is the InChIKey of (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine?
The InChIKey is BRNIJRJWPTVOIE-UIFSVGEHSA-N. The full InChI is InChI=1S/C21H31N/c1-7-11-13-17(5)15-18(6)21(22)16-20(10-4)19(9-3)14-12-8-2/h7-12,14-16,18H,3,13,22H2,1-2,4-6H3/b11-7-,12-8-,17-15-,19-14+,20-10+,21-16-.
What are the key properties of (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine?
(2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine has a molecular weight of 297.49 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,7Z,10Z,13Z)-5-ethenyl-6-ethylidene-9,11-dimethylpentadeca-2,4,7,10,13-pentaen-8-amine is sourced from PubChem (CID 144508430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).