(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

C10H20N4 — CID 134406066

IUPAC(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNC(C)C1
InChIInChI=1S/C10H20N4/c1-8(11)3-4-10(12)14-6-5-13-9(2)7-14/h3-4,9,13H,5-7,11-12H2,1-2H3/b8-3-,10-4+
InChIKeyFMZUCOCTMRRWHO-TTYYHJRKSA-N
MW196.30 g/mol
LogP-0.06
Rot. Bonds2

About (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406066) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406066
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNC(C)C1
InChIInChI=1S/C10H20N4/c1-8(11)3-4-10(12)14-6-5-13-9(2)7-14/h3-4,9,13H,5-7,11-12H2,1-2H3/b8-3-,10-4+
InChIKeyFMZUCOCTMRRWHO-TTYYHJRKSA-N
XLogP-0.06
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (CID 134406066) is (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCNC(C)C1.
What is the InChIKey of (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is FMZUCOCTMRRWHO-TTYYHJRKSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(11)3-4-10(12)14-6-5-13-9(2)7-14/h3-4,9,13H,5-7,11-12H2,1-2H3/b8-3-,10-4+.
What are the key properties of (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 196.30 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).