2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

C9H21N3 — CID 3159678

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCN1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3
InChIKeyGBADJQGJTQQHGC-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds2

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 3159678) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID3159678
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCN1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3
InChIKeyGBADJQGJTQQHGC-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 3159678) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine is CN1CCN(CC(C)(C)N)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is GBADJQGJTQQHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine?
2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 3159678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).