(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine

C9H20N2S — CID 88906271

IUPAC(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine
SMILESC=C([C@@H](N)CCSC)C(C)(C)N
InChIInChI=1S/C9H20N2S/c1-7(9(2,3)11)8(10)5-6-12-4/h8H,1,5-6,10-11H2,2-4H3/t8-/m0/s1
InChIKeyGOYXXVHCTHEVCQ-QMMMGPOBSA-N
MW188.34 g/mol
LogP1.36
Rot. Bonds5

About (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine

(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine (PubChem CID 88906271) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine.

Molecular Properties

Compound Name(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine
PubChem CID88906271
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine
SMILESC=C([C@@H](N)CCSC)C(C)(C)N
InChIInChI=1S/C9H20N2S/c1-7(9(2,3)11)8(10)5-6-12-4/h8H,1,5-6,10-11H2,2-4H3/t8-/m0/s1
InChIKeyGOYXXVHCTHEVCQ-QMMMGPOBSA-N
XLogP1.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine?
The IUPAC name of (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine (CID 88906271) is (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine.
What is the SMILES notation for (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine?
The canonical SMILES for (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine is C=C([C@@H](N)CCSC)C(C)(C)N.
What is the InChIKey of (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine?
The InChIKey is GOYXXVHCTHEVCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(9(2,3)11)8(10)5-6-12-4/h8H,1,5-6,10-11H2,2-4H3/t8-/m0/s1.
What are the key properties of (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine?
(4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-3-methylidene-6-methylsulfanylhexane-2,4-diamine is sourced from PubChem (CID 88906271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).