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

C11H25N3 — CID 80504638

IUPAC[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
SMILESCCC(C)CN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-4-10(2)8-14-6-5-13(3)9-11(14)7-12/h10-11H,4-9,12H2,1-3H3
InChIKeyXGHZPYITCPDUIU-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds4

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

[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine (PubChem CID 80504638) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
PubChem CID80504638
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
SMILESCCC(C)CN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3/c1-4-10(2)8-14-6-5-13(3)9-11(14)7-12/h10-11H,4-9,12H2,1-3H3
InChIKeyXGHZPYITCPDUIU-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine (CID 80504638) is [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine is CCC(C)CN1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine?
The InChIKey is XGHZPYITCPDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-10(2)8-14-6-5-13(3)9-11(14)7-12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine?
[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80504638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).