1-ethenyl-4-propan-2-ylpiperazin-2-imine

C9H17N3 — CID 176673058

IUPAC1-ethenyl-4-propan-2-ylpiperazin-2-imine
SMILES[H]/N=C1\CN(C(C)C)CCN1C=C
InChIInChI=1S/C9H17N3/c1-4-11-5-6-12(8(2)3)7-9(11)10/h4,8,10H,1,5-7H2,2-3H3/b10-9+
InChIKeySYVYQNBGLBFWTM-MDZDMXLPSA-N
MW167.26 g/mol
LogP1.13
Rot. Bonds2

About 1-ethenyl-4-propan-2-ylpiperazin-2-imine

1-ethenyl-4-propan-2-ylpiperazin-2-imine (PubChem CID 176673058) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-ethenyl-4-propan-2-ylpiperazin-2-imine.

Molecular Properties

Compound Name1-ethenyl-4-propan-2-ylpiperazin-2-imine
PubChem CID176673058
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-ethenyl-4-propan-2-ylpiperazin-2-imine
SMILES[H]/N=C1\CN(C(C)C)CCN1C=C
InChIInChI=1S/C9H17N3/c1-4-11-5-6-12(8(2)3)7-9(11)10/h4,8,10H,1,5-7H2,2-3H3/b10-9+
InChIKeySYVYQNBGLBFWTM-MDZDMXLPSA-N
XLogP1.13
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.13
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

1-(4-Propan-2-ylpiperazin-1-yl)ethanimine
CID 58326908
N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
CID 130347840
4-methyl-1-[(Z)-prop-1-enyl]piperazin-2-imine
CID 142094849
2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
CID 143254213
1-Ethenyl-4-methylpiperazin-2-imine
CID 145579540
N-ethenyl-N-propan-2-ylpropanimidamide
CID 146638834
1-(1-Methyl-4-propan-2-ylpiperazin-1-ium-1-yl)ethanimine
CID 174245632

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-propan-2-ylpiperazin-2-imine?
The IUPAC name of 1-ethenyl-4-propan-2-ylpiperazin-2-imine (CID 176673058) is 1-ethenyl-4-propan-2-ylpiperazin-2-imine.
What is the SMILES notation for 1-ethenyl-4-propan-2-ylpiperazin-2-imine?
The canonical SMILES for 1-ethenyl-4-propan-2-ylpiperazin-2-imine is [H]/N=C1\CN(C(C)C)CCN1C=C.
What is the InChIKey of 1-ethenyl-4-propan-2-ylpiperazin-2-imine?
The InChIKey is SYVYQNBGLBFWTM-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-11-5-6-12(8(2)3)7-9(11)10/h4,8,10H,1,5-7H2,2-3H3/b10-9+.
What are the key properties of 1-ethenyl-4-propan-2-ylpiperazin-2-imine?
1-ethenyl-4-propan-2-ylpiperazin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-propan-2-ylpiperazin-2-imine is sourced from PubChem (CID 176673058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).