1-heptylsulfanyl-2-methylpropan-2-amine

C11H25NS — CID 66228782

IUPAC1-heptylsulfanyl-2-methylpropan-2-amine
SMILESCCCCCCCSCC(C)(C)N
InChIInChI=1S/C11H25NS/c1-4-5-6-7-8-9-13-10-11(2,3)12/h4-10,12H2,1-3H3
InChIKeyVKKPCZBZWAMJSA-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.43
Rot. Bonds8

About 1-heptylsulfanyl-2-methylpropan-2-amine

1-heptylsulfanyl-2-methylpropan-2-amine (PubChem CID 66228782) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 1-heptylsulfanyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-heptylsulfanyl-2-methylpropan-2-amine
PubChem CID66228782
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name1-heptylsulfanyl-2-methylpropan-2-amine
SMILESCCCCCCCSCC(C)(C)N
InChIInChI=1S/C11H25NS/c1-4-5-6-7-8-9-13-10-11(2,3)12/h4-10,12H2,1-3H3
InChIKeyVKKPCZBZWAMJSA-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.43
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

1-(2,2-dimethylpropylsulfanyl)pentadecane
CID 54178193
6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
CID 23615100
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-octadecylsulfanyloctacosane
CID 87077538
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of 1-heptylsulfanyl-2-methylpropan-2-amine?
The IUPAC name of 1-heptylsulfanyl-2-methylpropan-2-amine (CID 66228782) is 1-heptylsulfanyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-heptylsulfanyl-2-methylpropan-2-amine?
The canonical SMILES for 1-heptylsulfanyl-2-methylpropan-2-amine is CCCCCCCSCC(C)(C)N.
What is the InChIKey of 1-heptylsulfanyl-2-methylpropan-2-amine?
The InChIKey is VKKPCZBZWAMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-5-6-7-8-9-13-10-11(2,3)12/h4-10,12H2,1-3H3.
What are the key properties of 1-heptylsulfanyl-2-methylpropan-2-amine?
1-heptylsulfanyl-2-methylpropan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylsulfanyl-2-methylpropan-2-amine is sourced from PubChem (CID 66228782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).