2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine

C11H23N3 — CID 63604813

IUPAC2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H23N3/c1-9(2)10(12)14-7-6-13(5)11(3,4)8-14/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyRMJVBDCCUYMXIV-ZRDIBKRKSA-N
MW197.33 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine

2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine (PubChem CID 63604813) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine
PubChem CID63604813
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H23N3/c1-9(2)10(12)14-7-6-13(5)11(3,4)8-14/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyRMJVBDCCUYMXIV-ZRDIBKRKSA-N
XLogP1.65
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.65
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

2-Methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
CID 63181564
Piperazine, 1-(1-iminopropyl)-4-methyl-
CID 12283364
2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine
CID 21348457
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 57640390
2-Methyl-1-piperazin-1-ylpropan-1-imine
CID 57640425
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanimidamide
CID 57640541
1-(4-Propan-2-ylpiperazin-1-yl)ethanimine
CID 58326908
1-(4-Tert-butylpiperazin-1-yl)ethanimine
CID 63173733
1-(4-Ethylpiperazin-1-yl)butan-1-imine
CID 63178412
1-(4-Methylpiperazin-1-yl)butan-1-imine
CID 63178580
Cyclopropyl-(4-methylpiperazin-1-yl)methanimine
CID 63178629
3-Methyl-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 63179187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine?
The IUPAC name of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine (CID 63604813) is 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine is [H]/N=C(\C(C)C)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine?
The InChIKey is RMJVBDCCUYMXIV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)10(12)14-7-6-13(5)11(3,4)8-14/h9,12H,6-8H2,1-5H3/b12-10+.
What are the key properties of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine?
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine has a molecular weight of 197.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 63604813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).