5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine

C11H25NS — CID 115721803

IUPAC5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
SMILESCSCC(C)NC(C)CCC(C)C
InChIInChI=1S/C11H25NS/c1-9(2)6-7-10(3)12-11(4)8-13-5/h9-12H,6-8H2,1-5H3
InChIKeyIAIBYVPXDYTOIB-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds7

About 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine

5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine (PubChem CID 115721803) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
PubChem CID115721803
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
SMILESCSCC(C)NC(C)CCC(C)C
InChIInChI=1S/C11H25NS/c1-9(2)6-7-10(3)12-11(4)8-13-5/h9-12H,6-8H2,1-5H3
InChIKeyIAIBYVPXDYTOIB-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
CID 115721884
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
CID 104582576
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853
(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane
CID 172730722
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
(5-methyl-1-methylsulfanylhexan-2-yl)hydrazine
CID 105213733
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine (CID 115721803) is 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine is CSCC(C)NC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine?
The InChIKey is IAIBYVPXDYTOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-9(2)6-7-10(3)12-11(4)8-13-5/h9-12H,6-8H2,1-5H3.
What are the key properties of 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine?
5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine is sourced from PubChem (CID 115721803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).