[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine

C11H25N3 — CID 80504523

IUPAC[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
SMILESCC(C)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-9(2)10(3)14-6-5-13(4)8-11(14)7-12/h9-11H,5-8,12H2,1-4H3
InChIKeyWPBDYBBWXGQMIF-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds3

About [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine

[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine (PubChem CID 80504523) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
PubChem CID80504523
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
SMILESCC(C)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-9(2)10(3)14-6-5-13(4)8-11(14)7-12/h9-11H,5-8,12H2,1-4H3
InChIKeyWPBDYBBWXGQMIF-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-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
CID 80505892
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
CID 80504272
[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
CID 116535695
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
CID 142243069
[4-methyl-1-(3-methylbutan-2-yl)piperidin-2-yl]methanamine
CID 103440507
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
CID 168838550

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine (CID 80504523) is [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine is CC(C)C(C)N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine?
The InChIKey is WPBDYBBWXGQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(2)10(3)14-6-5-13(4)8-11(14)7-12/h9-11H,5-8,12H2,1-4H3.
What are the key properties of [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine 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 [4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80504523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).