4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine

C8H15N3 — CID 142094849

IUPAC4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
SMILES[H]/N=C1\CN(C)CCN1/C=C\C
InChIInChI=1S/C8H15N3/c1-3-4-11-6-5-10(2)7-8(11)9/h3-4,9H,5-7H2,1-2H3/b4-3-,9-8+
InChIKeyQHAYROJYNNUPAY-VHPFQHCPSA-N
MW153.23 g/mol
LogP0.74
Rot. Bonds1

About 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine

4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine (PubChem CID 142094849) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine.

Molecular Properties

Compound Name4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
PubChem CID142094849
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
SMILES[H]/N=C1\CN(C)CCN1/C=C\C
InChIInChI=1S/C8H15N3/c1-3-4-11-6-5-10(2)7-8(11)9/h3-4,9H,5-7H2,1-2H3/b4-3-,9-8+
InChIKeyQHAYROJYNNUPAY-VHPFQHCPSA-N
XLogP0.74
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-ethyl-N-prop-1-enylprop-2-enimidamide
CID 123879533
4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine
CID 129261812
N-ethyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 130247448
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 142094873
3-Imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine
CID 144622377
1,4-dimethyl-N-[(Z)-prop-1-enyl]piperazin-2-imine
CID 144729431
1-Ethenyl-4-methylpiperazin-2-imine
CID 145579540
N-ethyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 154474112
1-Ethenyl-4-propan-2-ylpiperazin-2-imine
CID 176673058

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The IUPAC name of 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine (CID 142094849) is 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine.
What is the SMILES notation for 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The canonical SMILES for 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine is [H]/N=C1\CN(C)CCN1/C=C\C.
What is the InChIKey of 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The InChIKey is QHAYROJYNNUPAY-VHPFQHCPSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-11-6-5-10(2)7-8(11)9/h3-4,9H,5-7H2,1-2H3/b4-3-,9-8+.
What are the key properties of 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine?
4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine has a molecular weight of 153.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine is sourced from PubChem (CID 142094849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).