2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine

C9H21NS — CID 21041443

IUPAC2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCC(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)8-10-6-5-7-11-4/h10H,5-8H2,1-4H3
InChIKeyNDGSPDCHKZJEDV-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.38
Rot. Bonds5

About 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine

2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 21041443) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
PubChem CID21041443
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCC(C)(C)C
InChIInChI=1S/C9H21NS/c1-9(2,3)8-10-6-5-7-11-4/h10H,5-8H2,1-4H3
InChIKeyNDGSPDCHKZJEDV-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine (CID 21041443) is 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine is CSCCCNCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is NDGSPDCHKZJEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-9(2,3)8-10-6-5-7-11-4/h10H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 21041443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).