4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine

C11H25NS — CID 62576521

IUPAC4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)SCCCCNC(C)C
InChIInChI=1S/C11H25NS/c1-5-11(4)13-9-7-6-8-12-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyDMHDBVIMBIAHKA-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds8

About 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine

4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine (PubChem CID 62576521) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine
PubChem CID62576521
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)SCCCCNC(C)C
InChIInChI=1S/C11H25NS/c1-5-11(4)13-9-7-6-8-12-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyDMHDBVIMBIAHKA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 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 ≤ 53.30
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

4-butan-2-ylsulfanyl-N-(2-methylpropyl)butan-1-amine
CID 62576731
1-butan-2-ylsulfanylbutane
CID 525455
N-propan-2-ylicosan-1-amine
CID 87246132
N-(2-butan-2-ylsulfanylethyl)pentan-1-amine
CID 62576318
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N-propan-2-ylbutan-1-amine chloride
CID 19629099
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine
CID 62577982
6-butan-2-ylsulfanyl-N-ethylhexan-3-amine
CID 106808180
tris(4-butan-2-ylsulfanylbutyl) borate
CID 139922477
4-butan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64614458

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine (CID 62576521) is 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine is CCC(C)SCCCCNC(C)C.
What is the InChIKey of 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine?
The InChIKey is DMHDBVIMBIAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-11(4)13-9-7-6-8-12-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine?
4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62576521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).