2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine

C12H27N3 — CID 114537436

IUPAC2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
SMILESCCC(C)(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H27N3/c1-6-12(4,9-13)15-7-10(2)14(5)11(3)8-15/h10-11H,6-9,13H2,1-5H3
InChIKeyYUNSHSNRNOAZGN-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds3

About 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine

2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine (PubChem CID 114537436) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
PubChem CID114537436
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
SMILESCCC(C)(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H27N3/c1-6-12(4,9-13)15-7-10(2)14(5)11(3)8-15/h10-11H,6-9,13H2,1-5H3
InChIKeyYUNSHSNRNOAZGN-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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Related Compounds

2-ethyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537611
2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 24689599
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
2-benzyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537612
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine
CID 155370662
3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536811
propane;(2R)-1,2,4,6-tetramethylpiperazine
CID 143144472
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
CID 63605604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine (CID 114537436) is 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine is CCC(C)(CN)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The InChIKey is YUNSHSNRNOAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-12(4,9-13)15-7-10(2)14(5)11(3)8-15/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-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-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 114537436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).