(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine

C11H20ClN3 — CID 142969804

IUPAC(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
SMILESC/C(Cl)=C(\C=C/CN)N1CCN(C)CC1
InChIInChI=1S/C11H20ClN3/c1-10(12)11(4-3-5-13)15-8-6-14(2)7-9-15/h3-4H,5-9,13H2,1-2H3/b4-3-,11-10-
InChIKeyMVFKZRAKONCKPQ-WXRHCNDASA-N
MW229.75 g/mol
LogP1.22
Rot. Bonds3

About (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine

(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine (PubChem CID 142969804) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
PubChem CID142969804
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
SMILESC/C(Cl)=C(\C=C/CN)N1CCN(C)CC1
InChIInChI=1S/C11H20ClN3/c1-10(12)11(4-3-5-13)15-8-6-14(2)7-9-15/h3-4H,5-9,13H2,1-2H3/b4-3-,11-10-
InChIKeyMVFKZRAKONCKPQ-WXRHCNDASA-N
XLogP1.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine with MolForge

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Related Compounds

1-(6-fluoro-1-methyl-2H-pyridin-5-yl)piperazine
CID 176689340
2-(6-methyl-2H-pyridin-1-yl)ethanamine
CID 19899437
(1E,3Z)-2-(4-propan-2-ylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 87688573
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazine
CID 88286852
(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 88564313
(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine
CID 88914774
(1Z,3E)-3-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89008861
(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
(1Z,3Z)-5-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89109772
1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine
CID 89117776
1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]-4-methylpiperazine
CID 89117777

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine (CID 142969804) is (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine is C/C(Cl)=C(\C=C/CN)N1CCN(C)CC1.
What is the InChIKey of (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine?
The InChIKey is MVFKZRAKONCKPQ-WXRHCNDASA-N. The full InChI is InChI=1S/C11H20ClN3/c1-10(12)11(4-3-5-13)15-8-6-14(2)7-9-15/h3-4H,5-9,13H2,1-2H3/b4-3-,11-10-.
What are the key properties of (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine?
(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine has a molecular weight of 229.75 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 142969804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).