2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine

C12H27N3 — CID 79810631

IUPAC2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCCC(C)(N)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N3/c1-6-12(4,13)10-15-8-7-14(5)11(2,3)9-15/h6-10,13H2,1-5H3
InChIKeyPNMWISHZCRBAEQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (PubChem CID 79810631) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
PubChem CID79810631
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCCC(C)(N)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N3/c1-6-12(4,13)10-15-8-7-14(5)11(2,3)9-15/h6-10,13H2,1-5H3
InChIKeyPNMWISHZCRBAEQ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (CID 79810631) is 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is CCC(C)(N)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The InChIKey is PNMWISHZCRBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-12(4,13)10-15-8-7-14(5)11(2,3)9-15/h6-10,13H2,1-5H3.
What are the key properties of 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 79810631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).