(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine

C9H21N3 — CID 7138339

IUPAC(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCC[C@H](N)CN1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-3-9(10)8-12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyNBCYAZLIOUSHBB-VIFPVBQESA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds3

About (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine

(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine (PubChem CID 7138339) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine
PubChem CID7138339
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCC[C@H](N)CN1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-3-9(10)8-12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyNBCYAZLIOUSHBB-VIFPVBQESA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 (2S)-1-(4-methylpiperazin-1-yl)butan-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 (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine?
The IUPAC name of (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine (CID 7138339) is (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine is CC[C@H](N)CN1CCN(C)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine?
The InChIKey is NBCYAZLIOUSHBB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N3/c1-3-9(10)8-12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine?
(2S)-1-(4-methylpiperazin-1-yl)butan-2-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 7138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).