(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine

C24H33N — CID 139468667

IUPAC(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
SMILESC=CC/C(C)=C/C(=C/C(=C)N(C)C(=C)/C(C=C)=C/C)/C(=C\C)C(=C)C
InChIInChI=1S/C24H33N/c1-11-15-19(7)16-23(24(14-4)18(5)6)17-20(8)25(10)21(9)22(12-2)13-3/h11-14,16-17H,1-2,5,8-9,15H2,3-4,6-7,10H3/b19-16+,22-13+,23-17-,24-14-
InChIKeyNFPPVZOZKNSCQJ-TVMAQQNJSA-N
MW335.54 g/mol
LogP7.05
Rot. Bonds10

About (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine

(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine (PubChem CID 139468667) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine.

Molecular Properties

Compound Name(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
PubChem CID139468667
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
SMILESC=CC/C(C)=C/C(=C/C(=C)N(C)C(=C)/C(C=C)=C/C)/C(=C\C)C(=C)C
InChIInChI=1S/C24H33N/c1-11-15-19(7)16-23(24(14-4)18(5)6)17-20(8)25(10)21(9)22(12-2)13-3/h11-14,16-17H,1-2,5,8-9,15H2,3-4,6-7,10H3/b19-16+,22-13+,23-17-,24-14-
InChIKeyNFPPVZOZKNSCQJ-TVMAQQNJSA-N
XLogP7.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine with MolForge

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Related Compounds

4,6-dimethylocta-1,4,6-triene
CID 123877249
(5E)-N-[(3Z)-3,6-dimethylhepta-1,3,5-trien-2-yl]-5-ethenylhepta-1,5-dien-4-imine
CID 138648661
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine
CID 142583808
3-ethyl-4-prop-1-en-2-ylhepta-1,3,6-triene
CID 141197740
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
3,6-dimethylnona-1,3,5,8-tetraene
CID 90934144
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The IUPAC name of (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine (CID 139468667) is (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine.
What is the SMILES notation for (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The canonical SMILES for (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine is C=CC/C(C)=C/C(=C/C(=C)N(C)C(=C)/C(C=C)=C/C)/C(=C\C)C(=C)C.
What is the InChIKey of (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The InChIKey is NFPPVZOZKNSCQJ-TVMAQQNJSA-N. The full InChI is InChI=1S/C24H33N/c1-11-15-19(7)16-23(24(14-4)18(5)6)17-20(8)25(10)21(9)22(12-2)13-3/h11-14,16-17H,1-2,5,8-9,15H2,3-4,6-7,10H3/b19-16+,22-13+,23-17-,24-14-.
What are the key properties of (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine has a molecular weight of 335.54 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine is sourced from PubChem (CID 139468667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).