(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine

C15H22N4 — CID 118203917

IUPAC(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine
SMILESCC(C)=C/C(=C\N)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C15H22N4/c1-12(2)9-14(10-16)13-3-4-15(18-11-13)19-7-5-17-6-8-19/h3-4,9-11,17H,5-8,16H2,1-2H3/b14-10+
InChIKeyKKQODSNIMLVXLY-GXDHUFHOSA-N
MW258.37 g/mol
LogP1.76
Rot. Bonds3

About (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine

(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine (PubChem CID 118203917) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine
PubChem CID118203917
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine
SMILESCC(C)=C/C(=C\N)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C15H22N4/c1-12(2)9-14(10-16)13-3-4-15(18-11-13)19-7-5-17-6-8-19/h3-4,9-11,17H,5-8,16H2,1-2H3/b14-10+
InChIKeyKKQODSNIMLVXLY-GXDHUFHOSA-N
XLogP1.76
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine?
The IUPAC name of (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine (CID 118203917) is (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine is CC(C)=C/C(=C\N)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine?
The InChIKey is KKQODSNIMLVXLY-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)9-14(10-16)13-3-4-15(18-11-13)19-7-5-17-6-8-19/h3-4,9-11,17H,5-8,16H2,1-2H3/b14-10+.
What are the key properties of (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine?
(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine has a molecular weight of 258.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 118203917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).