3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine

C10H21N3 — CID 63179187

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C10H21N3/c1-9(2)8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyVWUPDTYUUKCLLT-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.26
Rot. Bonds2

About 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine

3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine (PubChem CID 63179187) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine
PubChem CID63179187
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C10H21N3/c1-9(2)8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyVWUPDTYUUKCLLT-ZHACJKMWSA-N
XLogP1.26
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine (CID 63179187) is 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine.
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CC(C)C)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine?
The InChIKey is VWUPDTYUUKCLLT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(2)8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine?
3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 63179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).