1-(3,4-dimethylpiperazin-1-yl)butan-1-imine

C10H21N3 — CID 63603592

IUPAC1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C)C(C)C1
InChIInChI=1S/C10H21N3/c1-4-5-10(11)13-7-6-12(3)9(2)8-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyDJFHNGAKXYHIFM-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.40
Rot. Bonds2

About 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine

1-(3,4-dimethylpiperazin-1-yl)butan-1-imine (PubChem CID 63603592) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
PubChem CID63603592
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(C)C(C)C1
InChIInChI=1S/C10H21N3/c1-4-5-10(11)13-7-6-12(3)9(2)8-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyDJFHNGAKXYHIFM-ZHACJKMWSA-N
XLogP1.40
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 ≤ 51.40
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 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine (CID 63603592) is 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?
The InChIKey is DJFHNGAKXYHIFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-5-10(11)13-7-6-12(3)9(2)8-13/h9,11H,4-8H2,1-3H3/b11-10+.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?
1-(3,4-dimethylpiperazin-1-yl)butan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 63603592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).