(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine

C11H19N3 — CID 88917398

IUPAC(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-10(2)3-4-11(9-12)14-7-5-13-6-8-14/h3-4,9,13H,1,5-8,12H2,2H3/b4-3-,11-9+
InChIKeyYUWQNSMSLGDMLD-XOXVZCPUSA-N
MW193.29 g/mol
LogP0.82
Rot. Bonds3

About (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine

(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine (PubChem CID 88917398) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine
PubChem CID88917398
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-10(2)3-4-11(9-12)14-7-5-13-6-8-14/h3-4,9,13H,1,5-8,12H2,2H3/b4-3-,11-9+
InChIKeyYUWQNSMSLGDMLD-XOXVZCPUSA-N
XLogP0.82
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine (CID 88917398) is (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine is C=C(C)/C=C\C(=C/N)N1CCNCC1.
What is the InChIKey of (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine?
The InChIKey is YUWQNSMSLGDMLD-XOXVZCPUSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)3-4-11(9-12)14-7-5-13-6-8-14/h3-4,9,13H,1,5-8,12H2,2H3/b4-3-,11-9+.
What are the key properties of (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine?
(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88917398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).