1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine

C10H19N3 — CID 90250320

IUPAC1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-5-11-10(2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b5-4-,11-10+
InChIKeyCHMYFRSRLMYEKL-JWPKELMXSA-N
MW181.28 g/mol
LogP1.19
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine

1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 90250320) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
PubChem CID90250320
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C(/C)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-4-5-11-10(2)13-8-6-12(3)7-9-13/h4-5H,6-9H2,1-3H3/b5-4-,11-10+
InChIKeyCHMYFRSRLMYEKL-JWPKELMXSA-N
XLogP1.19
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 ≤ 51.19
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 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine (CID 90250320) is 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C(/C)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is CHMYFRSRLMYEKL-JWPKELMXSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-11-10(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 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 181.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 90250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).