N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine

C11H19N3 — CID 142345668

IUPACN-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,1,3,5-8H2,2,4H3/b11-9+
InChIKeyGNINTCBQVULYHS-PKNBQFBNSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds3

About N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 142345668) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID142345668
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,1,3,5-8H2,2,4H3/b11-9+
InChIKeyGNINTCBQVULYHS-PKNBQFBNSA-N
XLogP1.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
CID 129059916
N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
CID 142264893
ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345667
(1Z)-N-ethyl-3-methyl-1-(methylideneamino)-N-propylbuta-1,3-dien-1-amine
CID 144023824
N-[(1Z,3E)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]propan-2-imine
CID 144075770
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
N-[(Z)-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156727096
(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
CID 156819648
2-methyl-N-[(Z)-1-(4-methylpiperazin-1-yl)prop-1-enyl]prop-2-en-1-imine
CID 163966216

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (CID 142345668) is N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is C=N/C(=C\C(=C)C)N1CCN(C)CC1.
What is the InChIKey of N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is GNINTCBQVULYHS-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,1,3,5-8H2,2,4H3/b11-9+.
What are the key properties of N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 142345668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).