(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine

C15H23N3 — CID 118145985

IUPAC(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine
SMILESC=C/C=C(/C)C(=C)N/C=C/C(N)/C(C)=C\NC=C
InChIInChI=1S/C15H23N3/c1-6-8-12(3)14(5)18-10-9-15(16)13(4)11-17-7-2/h6-11,15,17-18H,1-2,5,16H2,3-4H3/b10-9+,12-8-,13-11-
InChIKeyOAIVNRQMKBMMIR-GDWUBNLWSA-N
MW245.37 g/mol
LogP2.70
Rot. Bonds8

About (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine

(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine (PubChem CID 118145985) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine.

Molecular Properties

Compound Name(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine
PubChem CID118145985
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine
SMILESC=C/C=C(/C)C(=C)N/C=C/C(N)/C(C)=C\NC=C
InChIInChI=1S/C15H23N3/c1-6-8-12(3)14(5)18-10-9-15(16)13(4)11-17-7-2/h6-11,15,17-18H,1-2,5,16H2,3-4H3/b10-9+,12-8-,13-11-
InChIKeyOAIVNRQMKBMMIR-GDWUBNLWSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine with MolForge

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Related Compounds

(E)-1-N-ethenylprop-1-ene-1,2-diamine
CID 142054604
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine
CID 138533029

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine?
The IUPAC name of (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine (CID 118145985) is (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine.
What is the SMILES notation for (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine?
The canonical SMILES for (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine is C=C/C=C(/C)C(=C)N/C=C/C(N)/C(C)=C\NC=C.
What is the InChIKey of (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine?
The InChIKey is OAIVNRQMKBMMIR-GDWUBNLWSA-N. The full InChI is InChI=1S/C15H23N3/c1-6-8-12(3)14(5)18-10-9-15(16)13(4)11-17-7-2/h6-11,15,17-18H,1-2,5,16H2,3-4H3/b10-9+,12-8-,13-11-.
What are the key properties of (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine?
(1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine has a molecular weight of 245.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-N-ethenyl-2-methyl-5-N-[(3Z)-3-methylhexa-1,3,5-trien-2-yl]penta-1,4-diene-1,3,5-triamine is sourced from PubChem (CID 118145985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).