4-methyl-1-propan-2-ylsulfanylhexan-2-amine

C10H23NS — CID 65131873

IUPAC4-methyl-1-propan-2-ylsulfanylhexan-2-amine
SMILESCCC(C)CC(N)CSC(C)C
InChIInChI=1S/C10H23NS/c1-5-9(4)6-10(11)7-12-8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyFXFGJBAONMHKCG-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.89
Rot. Bonds6

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

4-methyl-1-propan-2-ylsulfanylhexan-2-amine (PubChem CID 65131873) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylsulfanylhexan-2-amine
PubChem CID65131873
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name4-methyl-1-propan-2-ylsulfanylhexan-2-amine
SMILESCCC(C)CC(N)CSC(C)C
InChIInChI=1S/C10H23NS/c1-5-9(4)6-10(11)7-12-8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyFXFGJBAONMHKCG-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.89
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-ylsulfanylhexan-2-amine?
The IUPAC name of 4-methyl-1-propan-2-ylsulfanylhexan-2-amine (CID 65131873) is 4-methyl-1-propan-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-ylsulfanylhexan-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-ylsulfanylhexan-2-amine is CCC(C)CC(N)CSC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-ylsulfanylhexan-2-amine?
The InChIKey is FXFGJBAONMHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-9(4)6-10(11)7-12-8(2)3/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-ylsulfanylhexan-2-amine?
4-methyl-1-propan-2-ylsulfanylhexan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.89, 6 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-ylsulfanylhexan-2-amine is sourced from PubChem (CID 65131873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).