1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine

C11H25N3 — CID 63621228

IUPAC1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-9(2)11(12)8-14-6-5-13(4)10(3)7-14/h9-11H,5-8,12H2,1-4H3
InChIKeyHBEQOFSLUVYCHN-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine

1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine (PubChem CID 63621228) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
PubChem CID63621228
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-9(2)11(12)8-14-6-5-13(4)10(3)7-14/h9-11H,5-8,12H2,1-4H3
InChIKeyHBEQOFSLUVYCHN-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

(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366
(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
CID 28597475
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine (CID 63621228) is 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine is CC(C)C(N)CN1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine?
The InChIKey is HBEQOFSLUVYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(2)11(12)8-14-6-5-13(4)10(3)7-14/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-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-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 63621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).