4-methyl-1-propan-2-ylsulfanylheptan-2-amine

C11H25NS — CID 65132167

IUPAC4-methyl-1-propan-2-ylsulfanylheptan-2-amine
SMILESCCCC(C)CC(N)CSC(C)C
InChIInChI=1S/C11H25NS/c1-5-6-10(4)7-11(12)8-13-9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyWKYYMZAFHMXTDB-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.28
Rot. Bonds7

About 4-methyl-1-propan-2-ylsulfanylheptan-2-amine

4-methyl-1-propan-2-ylsulfanylheptan-2-amine (PubChem CID 65132167) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylsulfanylheptan-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylsulfanylheptan-2-amine
PubChem CID65132167
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name4-methyl-1-propan-2-ylsulfanylheptan-2-amine
SMILESCCCC(C)CC(N)CSC(C)C
InChIInChI=1S/C11H25NS/c1-5-6-10(4)7-11(12)8-13-9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyWKYYMZAFHMXTDB-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylsulfanylheptan-2-amine?
The IUPAC name of 4-methyl-1-propan-2-ylsulfanylheptan-2-amine (CID 65132167) is 4-methyl-1-propan-2-ylsulfanylheptan-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-ylsulfanylheptan-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-ylsulfanylheptan-2-amine is CCCC(C)CC(N)CSC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-ylsulfanylheptan-2-amine?
The InChIKey is WKYYMZAFHMXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-6-10(4)7-11(12)8-13-9(2)3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-ylsulfanylheptan-2-amine?
4-methyl-1-propan-2-ylsulfanylheptan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylsulfanylheptan-2-amine is sourced from PubChem (CID 65132167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).