N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine

C15H33NOS — CID 146526513

IUPACN-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCSCCCOCC(C)(C)C
InChIInChI=1S/C15H33NOS/c1-14(2,3)12-16-8-11-18-10-7-9-17-13-15(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZEMLQZLHFIXYGW-UHFFFAOYSA-N
MW275.50 g/mol
LogP3.81
Rot. Bonds9

About N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine

N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 146526513) has the molecular formula C15H33NOS and a molecular weight of 275.50 g/mol. Its IUPAC name is N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine
PubChem CID146526513
Molecular FormulaC15H33NOS
Molecular Weight275.50 g/mol
Exact Mass275.23
IUPAC NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCSCCCOCC(C)(C)C
InChIInChI=1S/C15H33NOS/c1-14(2,3)12-16-8-11-18-10-7-9-17-13-15(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZEMLQZLHFIXYGW-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-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-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine (CID 146526513) is N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCCSCCCOCC(C)(C)C.
What is the InChIKey of N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is ZEMLQZLHFIXYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NOS/c1-14(2,3)12-16-8-11-18-10-7-9-17-13-15(4,5)6/h16H,7-13H2,1-6H3.
What are the key properties of N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine?
N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 275.50 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 146526513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).