1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine

C11H25N3 — CID 79659340

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)C1CN(C)CCN1C
InChIInChI=1S/C11H25N3/c1-5-9(2)11(12)10-8-13(3)6-7-14(10)4/h9-11H,5-8,12H2,1-4H3
InChIKeyJGXDLUOQMWSYNP-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine (PubChem CID 79659340) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
PubChem CID79659340
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)C1CN(C)CCN1C
InChIInChI=1S/C11H25N3/c1-5-9(2)11(12)10-8-13(3)6-7-14(10)4/h9-11H,5-8,12H2,1-4H3
InChIKeyJGXDLUOQMWSYNP-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
CID 79658576
1-(1,4-dimethylpiperazin-2-yl)-2-methoxyethanamine
CID 79659006
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
CID 107896718
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
1-(1,4-dimethylpiperazin-2-yl)-N,2,4-trimethylpentan-1-amine
CID 114284884
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
CID 79658674
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744552

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine (CID 79659340) is 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine?
The InChIKey is JGXDLUOQMWSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-9(2)11(12)10-8-13(3)6-7-14(10)4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 79659340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).