2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine

C7H17NS — CID 135178953

IUPAC2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine
SMILESCSCNCC(C)(C)C
InChIInChI=1S/C7H17NS/c1-7(2,3)5-8-6-9-4/h8H,5-6H2,1-4H3
InChIKeyCPFAXGXLNFUFNN-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.94
Rot. Bonds3

About 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine

2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine (PubChem CID 135178953) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine
PubChem CID135178953
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine
SMILESCSCNCC(C)(C)C
InChIInChI=1S/C7H17NS/c1-7(2,3)5-8-6-9-4/h8H,5-6H2,1-4H3
InChIKeyCPFAXGXLNFUFNN-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine (CID 135178953) is 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine is CSCNCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine?
The InChIKey is CPFAXGXLNFUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-7(2,3)5-8-6-9-4/h8H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine?
2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine has a molecular weight of 147.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(methylsulfanylmethyl)propan-1-amine is sourced from PubChem (CID 135178953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).