4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine

C15H33N3O — CID 43147157

IUPAC4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H33N3O/c1-14(13-15(2,3)19-5)16-7-6-8-18-11-9-17(4)10-12-18/h14,16H,6-13H2,1-5H3
InChIKeyFFFGBQVBYFZVKY-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds8

About 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine

4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine (PubChem CID 43147157) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
PubChem CID43147157
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H33N3O/c1-14(13-15(2,3)19-5)16-7-6-8-18-11-9-17(4)10-12-18/h14,16H,6-13H2,1-5H3
InChIKeyFFFGBQVBYFZVKY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-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

Related Compounds

1-(3-Methoxy-3-methylbutyl)piperazine
CID 12052553
1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
CID 70966971
N-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 126733746
4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
CID 134582275
4-Methoxy-1,2,4-trimethylpiperidin-3-amine
CID 142078467
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 155214987
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 29014274
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 29014276
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 43146946

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine (CID 43147157) is 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine is COC(C)(C)CC(C)NCCCN1CCN(C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The InChIKey is FFFGBQVBYFZVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-14(13-15(2,3)19-5)16-7-6-8-18-11-9-17(4)10-12-18/h14,16H,6-13H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine is sourced from PubChem (CID 43147157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).