(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine

C10H19N3 — CID 134566842

IUPAC(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-3-10(11)4-5-13-8-6-12(2)7-9-13/h3-4H,1,5-9,11H2,2H3/b10-4+
InChIKeyHVRZBTLKRAPQBK-ONNFQVAWSA-N
MW181.28 g/mol
LogP0.26
Rot. Bonds3

About (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine

(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine (PubChem CID 134566842) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine
PubChem CID134566842
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CN1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-3-10(11)4-5-13-8-6-12(2)7-9-13/h3-4H,1,5-9,11H2,2H3/b10-4+
InChIKeyHVRZBTLKRAPQBK-ONNFQVAWSA-N
XLogP0.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.26
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 (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine?
The IUPAC name of (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine (CID 134566842) is (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine?
The canonical SMILES for (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine is C=C/C(N)=C\CN1CCN(C)CC1.
What is the InChIKey of (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine?
The InChIKey is HVRZBTLKRAPQBK-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-10(11)4-5-13-8-6-12(2)7-9-13/h3-4H,1,5-9,11H2,2H3/b10-4+.
What are the key properties of (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine?
(3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine has a molecular weight of 181.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(4-methylpiperazin-1-yl)penta-1,3-dien-3-amine is sourced from PubChem (CID 134566842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).