N-(2-propan-2-ylsulfanylethyl)hexan-1-amine

C11H25NS — CID 62579308

IUPACN-(2-propan-2-ylsulfanylethyl)hexan-1-amine
SMILESCCCCCCNCCSC(C)C
InChIInChI=1S/C11H25NS/c1-4-5-6-7-8-12-9-10-13-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyNEQUXVVTFHYTQM-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds9

About N-(2-propan-2-ylsulfanylethyl)hexan-1-amine

N-(2-propan-2-ylsulfanylethyl)hexan-1-amine (PubChem CID 62579308) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylethyl)hexan-1-amine
PubChem CID62579308
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(2-propan-2-ylsulfanylethyl)hexan-1-amine
SMILESCCCCCCNCCSC(C)C
InChIInChI=1S/C11H25NS/c1-4-5-6-7-8-12-9-10-13-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyNEQUXVVTFHYTQM-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
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

N-(2-butan-2-ylsulfanylethyl)pentan-1-amine
CID 62576318
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2-methylsulfanylethyl)decan-1-amine
CID 60669485
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
2-(decylamino)ethyl thiohypochlorite
CID 121462372
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylethyl)hexan-1-amine?
The IUPAC name of N-(2-propan-2-ylsulfanylethyl)hexan-1-amine (CID 62579308) is N-(2-propan-2-ylsulfanylethyl)hexan-1-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfanylethyl)hexan-1-amine?
The canonical SMILES for N-(2-propan-2-ylsulfanylethyl)hexan-1-amine is CCCCCCNCCSC(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfanylethyl)hexan-1-amine?
The InChIKey is NEQUXVVTFHYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-5-6-7-8-12-9-10-13-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-propan-2-ylsulfanylethyl)hexan-1-amine?
N-(2-propan-2-ylsulfanylethyl)hexan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylethyl)hexan-1-amine is sourced from PubChem (CID 62579308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).