5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine

C11H23NS — CID 174283107

IUPAC5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine
SMILESC=C(C(C)C)C(N)CCSC(C)C
InChIInChI=1S/C11H23NS/c1-8(2)10(5)11(12)6-7-13-9(3)4/h8-9,11H,5-7,12H2,1-4H3
InChIKeyXMPWLTUPVAUFTB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.06
Rot. Bonds6

About 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine

5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine (PubChem CID 174283107) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine.

Molecular Properties

Compound Name5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine
PubChem CID174283107
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine
SMILESC=C(C(C)C)C(N)CCSC(C)C
InChIInChI=1S/C11H23NS/c1-8(2)10(5)11(12)6-7-13-9(3)4/h8-9,11H,5-7,12H2,1-4H3
InChIKeyXMPWLTUPVAUFTB-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine?
The IUPAC name of 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine (CID 174283107) is 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine.
What is the SMILES notation for 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine?
The canonical SMILES for 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine is C=C(C(C)C)C(N)CCSC(C)C.
What is the InChIKey of 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine?
The InChIKey is XMPWLTUPVAUFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8(2)10(5)11(12)6-7-13-9(3)4/h8-9,11H,5-7,12H2,1-4H3.
What are the key properties of 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine?
5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-3-amine is sourced from PubChem (CID 174283107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).