N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine

C11H25NS — CID 107896520

IUPACN,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine
SMILESCCCC(C)C(CSC(C)C)NC
InChIInChI=1S/C11H25NS/c1-6-7-10(4)11(12-5)8-13-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyUZHMWDSTMNQDMO-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds7

About N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine

N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine (PubChem CID 107896520) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine
PubChem CID107896520
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine
SMILESCCCC(C)C(CSC(C)C)NC
InChIInChI=1S/C11H25NS/c1-6-7-10(4)11(12-5)8-13-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyUZHMWDSTMNQDMO-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine?
The IUPAC name of N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine (CID 107896520) is N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine?
The canonical SMILES for N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine is CCCC(C)C(CSC(C)C)NC.
What is the InChIKey of N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine?
The InChIKey is UZHMWDSTMNQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-7-10(4)11(12-5)8-13-9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine?
N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine is sourced from PubChem (CID 107896520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).