3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine

C10H23N3 — CID 43199421

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-9(2)10(11)8-13-6-4-12(3)5-7-13/h9-10H,4-8,11H2,1-3H3
InChIKeyONJZMMMOBHCGPV-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.22
Rot. Bonds3

About 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine

3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine (PubChem CID 43199421) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
PubChem CID43199421
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCC(C)C(N)CN1CCN(C)CC1
InChIInChI=1S/C10H23N3/c1-9(2)10(11)8-13-6-4-12(3)5-7-13/h9-10H,4-8,11H2,1-3H3
InChIKeyONJZMMMOBHCGPV-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine
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1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
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(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
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1-methyl-4-[(2S)-2-methylbutyl]piperazine
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CID 153461646
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085
1-(2,2-difluoroethyl)-4-methylpiperazine
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CID 155404296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine (CID 43199421) is 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine is CC(C)C(N)CN1CCN(C)CC1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine?
The InChIKey is ONJZMMMOBHCGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2)10(11)8-13-6-4-12(3)5-7-13/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine?
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 43199421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).