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

C10H20N4 — CID 134406389

IUPAC(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-9(11)3-4-10(12)14-7-5-13(2)6-8-14/h3-4H,5-8,11-12H2,1-2H3/b9-3-,10-4+
InChIKeyFQHTUGYSMSMWFF-INWPEIIHSA-N
MW196.30 g/mol
LogP-0.10
Rot. Bonds2

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

(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406389) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406389
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-9(11)3-4-10(12)14-7-5-13(2)6-8-14/h3-4H,5-8,11-12H2,1-2H3/b9-3-,10-4+
InChIKeyFQHTUGYSMSMWFF-INWPEIIHSA-N
XLogP-0.10
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406672
ethane;(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197864
1-(1-piperazin-1-ylethyl)-2H-pyridin-4-amine
CID 19068068
(Z)-1-[4-[(Z)-2-aminobut-2-enyl]piperazin-1-yl]but-2-en-2-amine
CID 70504319
(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 88564313
(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine
CID 89062309
(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
CID 89062410
(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89109784
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
CID 89117790
(3E)-4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]penta-1,3-dien-2-amine
CID 90435964
2-[4-(6-Methyl-1,2-dihydropyridin-3-yl)piperazin-1-yl]ethanamine
CID 118423080
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-methyl-2H-pyridin-5-amine
CID 126489942

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (CID 134406389) is (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCN(C)CC1.
What is the InChIKey of (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is FQHTUGYSMSMWFF-INWPEIIHSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(11)3-4-10(12)14-7-5-13(2)6-8-14/h3-4H,5-8,11-12H2,1-2H3/b9-3-,10-4+.
What are the key properties of (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 196.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).