(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine

C10H19N3 — CID 166762830

IUPAC(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b5-4-,11-10+
InChIKeyJEYRCGBFIVSBGH-JWPKELMXSA-N
MW181.28 g/mol
LogP0.84
Rot. Bonds1

About (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine

(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine (PubChem CID 166762830) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
PubChem CID166762830
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b5-4-,11-10+
InChIKeyJEYRCGBFIVSBGH-JWPKELMXSA-N
XLogP0.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine (CID 166762830) is (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine is C/C=C\C(=N/C)N1CCN(C)CC1.
What is the InChIKey of (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The InChIKey is JEYRCGBFIVSBGH-JWPKELMXSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-10(11-2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b5-4-,11-10+.
What are the key properties of (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
(Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 166762830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).