1-[(2S)-2-methylpiperazin-1-yl]ethanimine

C7H15N3 — CID 142640279

IUPAC1-[(2S)-2-methylpiperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCNC[C@@H]1C
InChIInChI=1S/C7H15N3/c1-6-5-9-3-4-10(6)7(2)8/h6,8-9H,3-5H2,1-2H3/b8-7+/t6-/m0/s1
InChIKeyKQESCHXBYOHPDS-KRHCVIHDSA-N
MW141.22 g/mol
LogP0.28
Rot. Bonds

About 1-[(2S)-2-methylpiperazin-1-yl]ethanimine

1-[(2S)-2-methylpiperazin-1-yl]ethanimine (PubChem CID 142640279) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperazin-1-yl]ethanimine
PubChem CID142640279
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-[(2S)-2-methylpiperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCNC[C@@H]1C
InChIInChI=1S/C7H15N3/c1-6-5-9-3-4-10(6)7(2)8/h6,8-9H,3-5H2,1-2H3/b8-7+/t6-/m0/s1
InChIKeyKQESCHXBYOHPDS-KRHCVIHDSA-N
XLogP0.28
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
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

Imino methyl piperazine
CID 70652927
6-Ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 144563742
1-(2-Fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine
CID 144563745
1-(2-Fluoroethanimidoyl)-6-methylpiperazin-2-imine
CID 144563774
6-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 144563780
1-(3,5-Dimethylpiperazin-1-yl)-2,2,2-trifluoroethan-1-imine
CID 131701370
(5R)-5-methyl-1-(3,3,3-trifluoropropanimidoyl)piperazin-2-imine
CID 153665609
(2S)-2-methylpiperazine-1-carboximidamide
CID 11171038
1-Piperazin-1-ylethanimine
CID 20077988
3-Methylpiperazine-1-carboximidamide
CID 20159883
2-Piperazin-1-ylpropanimidamide
CID 53917547
1-(4-Propan-2-ylpiperazin-1-yl)ethanimine
CID 58326908

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperazin-1-yl]ethanimine?
The IUPAC name of 1-[(2S)-2-methylpiperazin-1-yl]ethanimine (CID 142640279) is 1-[(2S)-2-methylpiperazin-1-yl]ethanimine.
What is the SMILES notation for 1-[(2S)-2-methylpiperazin-1-yl]ethanimine?
The canonical SMILES for 1-[(2S)-2-methylpiperazin-1-yl]ethanimine is [H]/N=C(\C)N1CCNC[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methylpiperazin-1-yl]ethanimine?
The InChIKey is KQESCHXBYOHPDS-KRHCVIHDSA-N. The full InChI is InChI=1S/C7H15N3/c1-6-5-9-3-4-10(6)7(2)8/h6,8-9H,3-5H2,1-2H3/b8-7+/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperazin-1-yl]ethanimine?
1-[(2S)-2-methylpiperazin-1-yl]ethanimine has a molecular weight of 141.22 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperazin-1-yl]ethanimine is sourced from PubChem (CID 142640279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).