1-propan-2-ylsulfanyldodecan-2-amine

C15H33NS — CID 65131587

IUPAC1-propan-2-ylsulfanyldodecan-2-amine
SMILESCCCCCCCCCCC(N)CSC(C)C
InChIInChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-15(16)13-17-14(2)3/h14-15H,4-13,16H2,1-3H3
InChIKeyIZIWPPIEIBUUBO-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.99
Rot. Bonds12

About 1-propan-2-ylsulfanyldodecan-2-amine

1-propan-2-ylsulfanyldodecan-2-amine (PubChem CID 65131587) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyldodecan-2-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfanyldodecan-2-amine
PubChem CID65131587
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC Name1-propan-2-ylsulfanyldodecan-2-amine
SMILESCCCCCCCCCCC(N)CSC(C)C
InChIInChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-15(16)13-17-14(2)3/h14-15H,4-13,16H2,1-3H3
InChIKeyIZIWPPIEIBUUBO-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.99
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-methylsulfanyloctan-2-amine
CID 62693396
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-propylsulfanylundecan-2-amine
CID 65129364
1-propan-2-ylsulfanylundecan-2-ylhydrazine
CID 105226075
1-propan-2-ylsulfanylnonan-2-ylhydrazine
CID 105226034
1-propan-2-ylsulfanyltetradecan-2-ylhydrazine
CID 105226035
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
4-methyl-1-propan-2-ylsulfanylheptan-2-amine
CID 65132167
nonadecane-2,14-diamine
CID 89095951
(4R)-tridecan-4-amine
CID 150614684

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyldodecan-2-amine?
The IUPAC name of 1-propan-2-ylsulfanyldodecan-2-amine (CID 65131587) is 1-propan-2-ylsulfanyldodecan-2-amine.
What is the SMILES notation for 1-propan-2-ylsulfanyldodecan-2-amine?
The canonical SMILES for 1-propan-2-ylsulfanyldodecan-2-amine is CCCCCCCCCCC(N)CSC(C)C.
What is the InChIKey of 1-propan-2-ylsulfanyldodecan-2-amine?
The InChIKey is IZIWPPIEIBUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-15(16)13-17-14(2)3/h14-15H,4-13,16H2,1-3H3.
What are the key properties of 1-propan-2-ylsulfanyldodecan-2-amine?
1-propan-2-ylsulfanyldodecan-2-amine has a molecular weight of 259.50 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyldodecan-2-amine is sourced from PubChem (CID 65131587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).