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

C9H21N3 — CID 6484192

IUPAC4-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCN1CCN(CCCCN)CC1
InChIInChI=1S/C9H21N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-10H2,1H3
InChIKeyNXKRSMDVDRFSBV-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds4

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

4-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 6484192) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID6484192
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name4-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCN1CCN(CCCCN)CC1
InChIInChI=1S/C9H21N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-10H2,1H3
InChIKeyNXKRSMDVDRFSBV-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-methylpiperazin-1-yl)butan-1-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 4-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)butan-1-amine (CID 6484192) is 4-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)butan-1-amine is CN1CCN(CCCCN)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is NXKRSMDVDRFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)butan-1-amine?
4-(4-methylpiperazin-1-yl)butan-1-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 6484192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).