N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H28N2S — CID 134415014

IUPACN-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSC(C)N1C2CCC1CC(NC(C)(C)C)C2
InChIInChI=1S/C14H28N2S/c1-10(17-5)16-12-6-7-13(16)9-11(8-12)15-14(2,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyCWNKSEXNQKCPAF-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.08
Rot. Bonds3

About N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 134415014) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID134415014
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSC(C)N1C2CCC1CC(NC(C)(C)C)C2
InChIInChI=1S/C14H28N2S/c1-10(17-5)16-12-6-7-13(16)9-11(8-12)15-14(2,3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyCWNKSEXNQKCPAF-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-8-(1-methylsulfanylethyl)-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-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 134415014) is N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CSC(C)N1C2CCC1CC(NC(C)(C)C)C2.
What is the InChIKey of N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CWNKSEXNQKCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-10(17-5)16-12-6-7-13(16)9-11(8-12)15-14(2,3)4/h10-13,15H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-8-(1-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 134415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).