2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium

C9H17N3V — CID 156651443

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium
SMILES[H]/N=C(\C(=C)C)N1CCN(C)CC1.[V]
InChIInChI=1S/C9H17N3.V/c1-8(2)9(10)12-6-4-11(3)5-7-12;/h10H,1,4-7H2,2-3H3;/b10-9+;
InChIKeyFEJIACMCQMCGHV-RRABGKBLSA-N
MW218.20 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium

2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium (PubChem CID 156651443) has the molecular formula C9H17N3V and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium
PubChem CID156651443
Molecular FormulaC9H17N3V
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium
SMILES[H]/N=C(\C(=C)C)N1CCN(C)CC1.[V]
InChIInChI=1S/C9H17N3.V/c1-8(2)9(10)12-6-4-11(3)5-7-12;/h10H,1,4-7H2,2-3H3;/b10-9+;
InChIKeyFEJIACMCQMCGHV-RRABGKBLSA-N
XLogP0.78
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
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

CID 131995956
CID 131995956
CID 143124285
CID 143124285
CID 150428392
CID 150428392
CID 142173714
CID 142173714
CID 156651444
CID 156651444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium (CID 156651443) is 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium is [H]/N=C(\C(=C)C)N1CCN(C)CC1.[V].
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium?
The InChIKey is FEJIACMCQMCGHV-RRABGKBLSA-N. The full InChI is InChI=1S/C9H17N3.V/c1-8(2)9(10)12-6-4-11(3)5-7-12;/h10H,1,4-7H2,2-3H3;/b10-9+;.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium?
2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium has a molecular weight of 218.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine;vanadium is sourced from PubChem (CID 156651443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).