2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine

C9H19NS — CID 130474490

IUPAC2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine
SMILESC=C(CCCSC)C(C)(C)N
InChIInChI=1S/C9H19NS/c1-8(9(2,3)10)6-5-7-11-4/h1,5-7,10H2,2-4H3
InChIKeyHEEPEPDQCAPNAX-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.42
Rot. Bonds5

About 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine

2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine (PubChem CID 130474490) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine
PubChem CID130474490
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine
SMILESC=C(CCCSC)C(C)(C)N
InChIInChI=1S/C9H19NS/c1-8(9(2,3)10)6-5-7-11-4/h1,5-7,10H2,2-4H3
InChIKeyHEEPEPDQCAPNAX-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine?
The IUPAC name of 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine (CID 130474490) is 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine.
What is the SMILES notation for 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine?
The canonical SMILES for 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine is C=C(CCCSC)C(C)(C)N.
What is the InChIKey of 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine?
The InChIKey is HEEPEPDQCAPNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(9(2,3)10)6-5-7-11-4/h1,5-7,10H2,2-4H3.
What are the key properties of 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine?
2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-6-methylsulfanylhexan-2-amine is sourced from PubChem (CID 130474490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).