N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine

C11H21N3 — CID 123993985

IUPACN,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/N=C(\C=C(C)C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,5-8H2,1-4H3/b12-11+
InChIKeyYEQHCXXYZAMLCE-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.23
Rot. Bonds1

About N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine

N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine (PubChem CID 123993985) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
PubChem CID123993985
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
SMILESC/N=C(\C=C(C)C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,5-8H2,1-4H3/b12-11+
InChIKeyYEQHCXXYZAMLCE-VAWYXSNFSA-N
XLogP1.23
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.23
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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Related Compounds

1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide
CID 121310089
N,N',3-trimethyl-N-propan-2-ylbut-2-enimidamide
CID 121310093
ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
CID 142079946
N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 142390625
(2Z)-N,4-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 144024471
1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 144954746
(Z)-1-(4-ethylpiperazin-1-yl)-N,3-dimethylpent-2-en-1-imine
CID 145657795
(Z)-N,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-imine
CID 145657944
N-ethyl-3-methyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 145658079
(2Z)-N,3-dimethyl-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-imine
CID 155735262
magnesium;hydride;N-methyl-1-[4-[(E)-2-methylbut-2-enyl]piperazin-1-yl]methanimine
CID 164152155

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The IUPAC name of N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine (CID 123993985) is N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine.
What is the SMILES notation for N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The canonical SMILES for N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine is C/N=C(\C=C(C)C)N1CCN(C)CC1.
What is the InChIKey of N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
The InChIKey is YEQHCXXYZAMLCE-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14/h9H,5-8H2,1-4H3/b12-11+.
What are the key properties of N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine?
N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine has a molecular weight of 195.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine is sourced from PubChem (CID 123993985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).