N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine

C10H19N3 — CID 142390625

IUPACN-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
SMILESC=C/C(=N\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h4H,1,5-9H2,2-3H3/b11-10+
InChIKeyQPVXHEHNTCCMOQ-ZHACJKMWSA-N
MW181.28 g/mol
LogP0.84
Rot. Bonds2

About N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine

N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 142390625) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID142390625
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
SMILESC=C/C(=N\CC)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h4H,1,5-9H2,2-3H3/b11-10+
InChIKeyQPVXHEHNTCCMOQ-ZHACJKMWSA-N
XLogP0.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-Ethenyl-1-methyl-4,5-dihydroimidazole
CID 22756041
2-Ethenyl-1-ethyl-4,5-dihydroimidazole
CID 45087215
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
2-Ethenyl-1-propyl-4,5-dihydroimidazole
CID 89037499
1-(2,2-Dimethylpropyl)-2-ethenyl-4,5-dihydroimidazole
CID 89092797
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 123212426
N-ethyl-N-methyl-2-(2-methyl-4H-pyrimidin-1-yl)ethanamine
CID 123244902
1-(2,3-Dihydropyridin-6-yl)-4-methylpiperazine
CID 123693422
N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 123993985
N-ethenyl-1-(4-ethylpiperazin-1-yl)prop-2-en-1-imine
CID 144477570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine (CID 142390625) is N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine is C=C/C(=N\CC)N1CCN(C)CC1.
What is the InChIKey of N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is QPVXHEHNTCCMOQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-10(11-5-2)13-8-6-12(3)7-9-13/h4H,1,5-9H2,2-3H3/b11-10+.
What are the key properties of N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine?
N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 142390625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).