(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine

C17H23N3 — CID 137450494

IUPAC(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine
SMILESC=C/C=C\C(=C)CCC(=C)/C=C(/NC)n1nccc1C
InChIInChI=1S/C17H23N3/c1-6-7-8-14(2)9-10-15(3)13-17(18-5)20-16(4)11-12-19-20/h6-8,11-13,18H,1-3,9-10H2,4-5H3/b8-7-,17-13-
InChIKeyTZRFLWYOZBSOEU-YTALYMLMSA-N
MW269.39 g/mol
LogP3.84
Rot. Bonds8

About (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine

(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine (PubChem CID 137450494) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine.

Molecular Properties

Compound Name(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine
PubChem CID137450494
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine
SMILESC=C/C=C\C(=C)CCC(=C)/C=C(/NC)n1nccc1C
InChIInChI=1S/C17H23N3/c1-6-7-8-14(2)9-10-15(3)13-17(18-5)20-16(4)11-12-19-20/h6-8,11-13,18H,1-3,9-10H2,4-5H3/b8-7-,17-13-
InChIKeyTZRFLWYOZBSOEU-YTALYMLMSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine?
The IUPAC name of (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine (CID 137450494) is (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine.
What is the SMILES notation for (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine?
The canonical SMILES for (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine is C=C/C=C\C(=C)CCC(=C)/C=C(/NC)n1nccc1C.
What is the InChIKey of (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine?
The InChIKey is TZRFLWYOZBSOEU-YTALYMLMSA-N. The full InChI is InChI=1S/C17H23N3/c1-6-7-8-14(2)9-10-15(3)13-17(18-5)20-16(4)11-12-19-20/h6-8,11-13,18H,1-3,9-10H2,4-5H3/b8-7-,17-13-.
What are the key properties of (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine?
(1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z)-N-methyl-3,6-dimethylidene-1-(5-methylpyrazol-1-yl)deca-1,7,9-trien-1-amine is sourced from PubChem (CID 137450494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).