(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine

C14H24N2S — CID 171214856

IUPAC(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
SMILESCC(C)(C)Sc1ccccc1[C@H](N)CCCN
InChIInChI=1S/C14H24N2S/c1-14(2,3)17-13-9-5-4-7-11(13)12(16)8-6-10-15/h4-5,7,9,12H,6,8,10,15-16H2,1-3H3/t12-/m1/s1
InChIKeyILISASAHLGNFTI-GFCCVEGCSA-N
MW252.43 g/mol
LogP3.32
Rot. Bonds5

About (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine

(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine (PubChem CID 171214856) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
PubChem CID171214856
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
SMILESCC(C)(C)Sc1ccccc1[C@H](N)CCCN
InChIInChI=1S/C14H24N2S/c1-14(2,3)17-13-9-5-4-7-11(13)12(16)8-6-10-15/h4-5,7,9,12H,6,8,10,15-16H2,1-3H3/t12-/m1/s1
InChIKeyILISASAHLGNFTI-GFCCVEGCSA-N
XLogP3.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-tert-butylsulfanylphenyl)propane-1,3-diamine
CID 171234486
(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol
CID 171214909
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540
(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171231380
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propanenitrile;hydrochloride
CID 171260201
(1S)-1-(2-tert-butylsulfanylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171234529
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171244579
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
CID 66511757
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171271234

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine (CID 171214856) is (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine is CC(C)(C)Sc1ccccc1[C@H](N)CCCN.
What is the InChIKey of (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine?
The InChIKey is ILISASAHLGNFTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)17-13-9-5-4-7-11(13)12(16)8-6-10-15/h4-5,7,9,12H,6,8,10,15-16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine?
(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine is sourced from PubChem (CID 171214856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).