N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine

C9H21NS — CID 23381578

IUPACN,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCSCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3
InChIKeyYSAAXJQBDLBGIH-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds4

About N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine

N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine (PubChem CID 23381578) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine
PubChem CID23381578
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCSCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3
InChIKeyYSAAXJQBDLBGIH-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-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-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The IUPAC name of N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine (CID 23381578) is N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine is CSCCCN(C)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The InChIKey is YSAAXJQBDLBGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine?
N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylsulfanylpropyl)propan-2-amine is sourced from PubChem (CID 23381578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).