(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine

C11H21NS — CID 89215267

IUPAC(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
SMILESC=C(C)C(=C)[C@H](CCSC)NCC
InChIInChI=1S/C11H21NS/c1-6-12-11(7-8-13-5)10(4)9(2)3/h11-12H,2,4,6-8H2,1,3,5H3/t11-/m0/s1
InChIKeyMAUUAGFXIWXDBS-NSHDSACASA-N
MW199.36 g/mol
LogP2.85
Rot. Bonds7

About (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine

(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine (PubChem CID 89215267) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
PubChem CID89215267
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
SMILESC=C(C)C(=C)[C@H](CCSC)NCC
InChIInChI=1S/C11H21NS/c1-6-12-11(7-8-13-5)10(4)9(2)3/h11-12H,2,4,6-8H2,1,3,5H3/t11-/m0/s1
InChIKeyMAUUAGFXIWXDBS-NSHDSACASA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The IUPAC name of (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine (CID 89215267) is (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine.
What is the SMILES notation for (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The canonical SMILES for (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine is C=C(C)C(=C)[C@H](CCSC)NCC.
What is the InChIKey of (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The InChIKey is MAUUAGFXIWXDBS-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NS/c1-6-12-11(7-8-13-5)10(4)9(2)3/h11-12H,2,4,6-8H2,1,3,5H3/t11-/m0/s1.
What are the key properties of (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine is sourced from PubChem (CID 89215267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).