ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine

C12H29NS — CID 145495425

IUPACethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine
SMILESCC.CCC(CCSC)(NC)C(C)C
InChIInChI=1S/C10H23NS.C2H6/c1-6-10(11-4,9(2)3)7-8-12-5;1-2/h9,11H,6-8H2,1-5H3;1-2H3
InChIKeyDMPQKPNONYHLCE-UHFFFAOYSA-N
MW219.44 g/mol
LogP3.79
Rot. Bonds6

About ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine

ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine (PubChem CID 145495425) has the molecular formula C12H29NS and a molecular weight of 219.44 g/mol. Its IUPAC name is ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine.

Molecular Properties

Compound Nameethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine
PubChem CID145495425
Molecular FormulaC12H29NS
Molecular Weight219.44 g/mol
Exact Mass219.20
IUPAC Nameethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine
SMILESCC.CCC(CCSC)(NC)C(C)C
InChIInChI=1S/C10H23NS.C2H6/c1-6-10(11-4,9(2)3)7-8-12-5;1-2/h9,11H,6-8H2,1-5H3;1-2H3
InChIKeyDMPQKPNONYHLCE-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N,2-dimethylhexan-3-amine
CID 138660886
2-ethyl-2-(methylamino)-5-propan-2-ylsulfanylpentan-1-ol
CID 106810989
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
N,4-dimethyl-1-methylsulfanylhexan-3-amine
CID 105170590
4-ethyl-N,7-dimethyloctan-4-amine
CID 167249904
3,3-diethyl-2-methylpentane;ethane
CID 163394660
2,2,4-tris(methylsulfanyl)butane-1,1-diol
CID 89115447
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764831
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053
ethane;methanamine;1-methylsulfanylpropane
CID 143338871
ethane;N-(2-methylsulfanylethyl)propan-1-amine
CID 144962889
1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
CID 55272632

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine?
The IUPAC name of ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine (CID 145495425) is ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine.
What is the SMILES notation for ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine?
The canonical SMILES for ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine is CC.CCC(CCSC)(NC)C(C)C.
What is the InChIKey of ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine?
The InChIKey is DMPQKPNONYHLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS.C2H6/c1-6-10(11-4,9(2)3)7-8-12-5;1-2/h9,11H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine?
ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine has a molecular weight of 219.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine is sourced from PubChem (CID 145495425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).