(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine

C10H18N4 — CID 134406633

IUPAC(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+
InChIKeyHQOSRQQYUBYZTE-INWPEIIHSA-N
MW194.28 g/mol
LogP0.30
Rot. Bonds3

About (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine

(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine (PubChem CID 134406633) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
PubChem CID134406633
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+
InChIKeyHQOSRQQYUBYZTE-INWPEIIHSA-N
XLogP0.30
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine (CID 134406633) is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine is C=N/C(C)=C\C=C(/N)N1CCNCC1.
What is the InChIKey of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
The InChIKey is HQOSRQQYUBYZTE-INWPEIIHSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(12-2)3-4-10(11)14-7-5-13-6-8-14/h3-4,13H,2,5-8,11H2,1H3/b9-3-,10-4+.
What are the key properties of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine?
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134406633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).