N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine

C13H23N3 — CID 142264893

IUPACN-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(C)C)N1CCN(CC)CC1
InChIInChI=1S/C13H23N3/c1-5-15-8-10-16(11-9-15)13(14-4)7-6-12(2)3/h6-7H,4-5,8-11H2,1-3H3/b13-7+
InChIKeyVNKKQEAGGZGAPV-NTUHNPAUSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds4

About N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine

N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine (PubChem CID 142264893) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
PubChem CID142264893
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(C)C)N1CCN(CC)CC1
InChIInChI=1S/C13H23N3/c1-5-15-8-10-16(11-9-15)13(14-4)7-6-12(2)3/h6-7H,4-5,8-11H2,1-3H3/b13-7+
InChIKeyVNKKQEAGGZGAPV-NTUHNPAUSA-N
XLogP2.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
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

1-(3-fluoro-1-methylidene-2H-pyridin-1-ium-6-yl)-4-methylpiperazine
CID 123527232
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
ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345667
N-[(1Z,3E)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]propan-2-imine
CID 144075770
ethane;(1E)-4-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dien-1-amine
CID 144151499
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
(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
N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345668
(1E)-4-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dien-1-amine
CID 144151500
(Z,Z)-2-methyl-N-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
CID 156740761

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine (CID 142264893) is N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine is C=N/C(=C\C=C(C)C)N1CCN(CC)CC1.
What is the InChIKey of N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine?
The InChIKey is VNKKQEAGGZGAPV-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-15-8-10-16(11-9-15)13(14-4)7-6-12(2)3/h6-7H,4-5,8-11H2,1-3H3/b13-7+.
What are the key properties of N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine?
N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142264893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).