8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H32N4 — CID 43131728

IUPAC8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCN(CCCNC2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H32N4/c1-18-8-10-20(11-9-18)7-3-6-17-14-12-15-4-5-16(13-14)19(15)2/h14-17H,3-13H2,1-2H3
InChIKeyVSOXCFGWBAMSOC-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.84
Rot. Bonds5

About 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131728) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131728
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCN(CCCNC2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H32N4/c1-18-8-10-20(11-9-18)7-3-6-17-14-12-15-4-5-16(13-14)19(15)2/h14-17H,3-13H2,1-2H3
InChIKeyVSOXCFGWBAMSOC-UHFFFAOYSA-N
XLogP0.84
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 43131728) is 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1CCN(CCCNC2CC3CCC(C2)N3C)CC1.
What is the InChIKey of 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VSOXCFGWBAMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-18-8-10-20(11-9-18)7-3-6-17-14-12-15-4-5-16(13-14)19(15)2/h14-17H,3-13H2,1-2H3.
What are the key properties of 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 280.46 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).