3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine

C15H33N3 — CID 61241600

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
SMILESCCCCCNCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-5-6-7-8-16-13-15(14(2)3)18-11-9-17(4)10-12-18/h14-16H,5-13H2,1-4H3
InChIKeyDAZINTYNFDOTRV-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds8

About 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine

3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine (PubChem CID 61241600) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
PubChem CID61241600
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
SMILESCCCCCNCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-5-6-7-8-16-13-15(14(2)3)18-11-9-17(4)10-12-18/h14-16H,5-13H2,1-4H3
InChIKeyDAZINTYNFDOTRV-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-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

Related Compounds

2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propylbutan-1-amine
CID 62432349
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
CID 103950354
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
3-methyl-N-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 62967246
1-(3-butoxypropyl)-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111240398
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine (CID 61241600) is 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine is CCCCCNCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine?
The InChIKey is DAZINTYNFDOTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-6-7-8-16-13-15(14(2)3)18-11-9-17(4)10-12-18/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine?
3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine is sourced from PubChem (CID 61241600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).