2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine

C16H35N3 — CID 43252936

IUPAC2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCCCN1CCN(CC(C)CN)CC1
InChIInChI=1S/C16H35N3/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)15-16(2)14-17/h16H,3-15,17H2,1-2H3
InChIKeyYIMZHBJNHLHFPQ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds10

About 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine

2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine (PubChem CID 43252936) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
PubChem CID43252936
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCCCN1CCN(CC(C)CN)CC1
InChIInChI=1S/C16H35N3/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)15-16(2)14-17/h16H,3-15,17H2,1-2H3
InChIKeyYIMZHBJNHLHFPQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
CID 62104734
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
1-hexylpyrrolidine;propan-2-amine
CID 166169325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine (CID 43252936) is 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine is CCCCCCCCN1CCN(CC(C)CN)CC1.
What is the InChIKey of 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine?
The InChIKey is YIMZHBJNHLHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)15-16(2)14-17/h16H,3-15,17H2,1-2H3.
What are the key properties of 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine?
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 43252936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).