N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine

C12H25N3 — CID 115318700

IUPACN'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
SMILESCN(CCCN)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H25N3/c1-14(7-3-6-13)12-8-10-4-5-11(9-12)15(10)2/h10-12H,3-9,13H2,1-2H3
InChIKeyAHAILMLCGNJMFR-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.89
Rot. Bonds4

About N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine

N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine (PubChem CID 115318700) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
PubChem CID115318700
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
SMILESCN(CCCN)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H25N3/c1-14(7-3-6-13)12-8-10-4-5-11(9-12)15(10)2/h10-12H,3-9,13H2,1-2H3
InChIKeyAHAILMLCGNJMFR-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine 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 N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine (CID 115318700) is N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine is CN(CCCN)C1CC2CCC(C1)N2C.
What is the InChIKey of N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine?
The InChIKey is AHAILMLCGNJMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(7-3-6-13)12-8-10-4-5-11(9-12)15(10)2/h10-12H,3-9,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine?
N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 115318700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).