1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine

C12H21N3 — CID 121480611

IUPAC1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine
SMILES[H]/N=C(\CC)CC1C=C1N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-11(13)8-10-9-12(10)15-6-4-14(2)5-7-15/h9-10,13H,3-8H2,1-2H3/b13-11+
InChIKeyRKFGSIHWCCUHTR-ACCUITESSA-N
MW207.32 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine

1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine (PubChem CID 121480611) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine
PubChem CID121480611
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine
SMILES[H]/N=C(\CC)CC1C=C1N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-11(13)8-10-9-12(10)15-6-4-14(2)5-7-15/h9-10,13H,3-8H2,1-2H3/b13-11+
InChIKeyRKFGSIHWCCUHTR-ACCUITESSA-N
XLogP1.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine (CID 121480611) is 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine is [H]/N=C(\CC)CC1C=C1N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine?
The InChIKey is RKFGSIHWCCUHTR-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-11(13)8-10-9-12(10)15-6-4-14(2)5-7-15/h9-10,13H,3-8H2,1-2H3/b13-11+.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine?
1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine has a molecular weight of 207.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)cycloprop-2-en-1-yl]butan-2-imine is sourced from PubChem (CID 121480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).