N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H26N2O2 — CID 107386326

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1COC(C)(C)O1)C2
InChIInChI=1S/C14H26N2O2/c1-14(2)17-9-13(18-14)8-15-10-6-11-4-5-12(7-10)16(11)3/h10-13,15H,4-9H2,1-3H3
InChIKeyMCFYMCGBLCEENK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107386326) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107386326
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1COC(C)(C)O1)C2
InChIInChI=1S/C14H26N2O2/c1-14(2)17-9-13(18-14)8-15-10-6-11-4-5-12(7-10)16(11)3/h10-13,15H,4-9H2,1-3H3
InChIKeyMCFYMCGBLCEENK-UHFFFAOYSA-N
XLogP1.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine 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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107386326) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCC1COC(C)(C)O1)C2.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MCFYMCGBLCEENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)17-9-13(18-14)8-15-10-6-11-4-5-12(7-10)16(11)3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 254.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107386326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).