5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine

C14H23NS — CID 105028980

IUPAC5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
SMILESCSc1ccc(C(N)CCCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3
InChIKeyAIBUURAKIFXWFL-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.23
Rot. Bonds6

About 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine

5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine (PubChem CID 105028980) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
PubChem CID105028980
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
SMILESCSc1ccc(C(N)CCCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3
InChIKeyAIBUURAKIFXWFL-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
4-(1-amino-5-methylhexyl)benzoic acid
CID 67326826
(1R)-2-methoxy-1-(4-methylsulfanylphenyl)ethanamine
CID 55270386
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
(1R)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-1-amine
CID 171207274
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine?
The IUPAC name of 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine (CID 105028980) is 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine?
The canonical SMILES for 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine is CSc1ccc(C(N)CCCC(C)C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine?
The InChIKey is AIBUURAKIFXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine?
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine is sourced from PubChem (CID 105028980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).