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

C10H17N3 — CID 123244077

IUPACN-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC=C(N=C)N1CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3
InChIKeyPYMIKDMUEUIUJO-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.96
Rot. Bonds3

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

N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 123244077) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID123244077
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC=C(N=C)N1CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3
InChIKeyPYMIKDMUEUIUJO-UHFFFAOYSA-N
XLogP0.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.96
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)ethenyl]prop-2-en-1-imine
CID 68309739
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
CID 129059916
(1E)-N,N-dimethyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
CID 134424054
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
N-[(1Z)-buta-1,3-dienyl]methanimine;1,4-dimethylpiperazine;ethane
CID 143433371
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
(1E)-1-(4-methylpiperazin-1-yl)buta-1,3-dien-1-amine
CID 162443452
N-[(1Z)-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]ethanimine
CID 174037802
N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345668
(Z,Z)-N'-methylidene-N-[(4-methylpiperazin-1-yl)methyl]prop-2-ene-1,3-diimine
CID 176564513

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (CID 123244077) is N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is C=CC=C(N=C)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is PYMIKDMUEUIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,1-2,6-9H2,3H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 179.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 123244077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).