2-methyl-N-(2-propylsulfanylethyl)propan-2-amine

C9H21NS — CID 61385676

IUPAC2-methyl-N-(2-propylsulfanylethyl)propan-2-amine
SMILESCCCSCCNC(C)(C)C
InChIInChI=1S/C9H21NS/c1-5-7-11-8-6-10-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyHJRXEQHSVBJVFL-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine

2-methyl-N-(2-propylsulfanylethyl)propan-2-amine (PubChem CID 61385676) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propylsulfanylethyl)propan-2-amine
PubChem CID61385676
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-methyl-N-(2-propylsulfanylethyl)propan-2-amine
SMILESCCCSCCNC(C)(C)C
InChIInChI=1S/C9H21NS/c1-5-7-11-8-6-10-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyHJRXEQHSVBJVFL-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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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Related Compounds

Di(isopropylaminoethyl)sulfide
CID 469936
3,3-Dimethylthiomorpholine
CID 14988015
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
5-Trimethyl-thiomorpholin
CID 19848469
1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 166663019
2,4,4-Trimethyl-1,3-thiazolidine
CID 23278395
13-Methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine
CID 90806516
Bis(2-(pentylthio)ethyl)amine
CID 101961546
1-ethylsulfanyl-N-(3-fluoropropyl)propan-2-amine
CID 116291096
4-ethylsulfanyl-N-(2-fluoroethyl)butan-2-amine
CID 116411253
4-ethylsulfanyl-N-(3-fluoropropyl)butan-2-amine
CID 116411529
2-methyl-N-[3-(trifluoromethylsulfanyl)propyl]propan-2-amine
CID 116617951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine (CID 61385676) is 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine is CCCSCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine?
The InChIKey is HJRXEQHSVBJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-7-11-8-6-10-9(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine?
2-methyl-N-(2-propylsulfanylethyl)propan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 61385676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).