(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine

C12H23NS — CID 166941662

IUPAC(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine
SMILESC=C(C(/C=C\C)NC)C(CCC)SC
InChIInChI=1S/C12H23NS/c1-6-8-11(13-4)10(3)12(14-5)9-7-2/h6,8,11-13H,3,7,9H2,1-2,4-5H3/b8-6-
InChIKeyOTDTTYFSMKUFHQ-VURMDHGXSA-N
MW213.39 g/mol
LogP3.24
Rot. Bonds7

About (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine

(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine (PubChem CID 166941662) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine.

Molecular Properties

Compound Name(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine
PubChem CID166941662
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine
SMILESC=C(C(/C=C\C)NC)C(CCC)SC
InChIInChI=1S/C12H23NS/c1-6-8-11(13-4)10(3)12(14-5)9-7-2/h6,8,11-13H,3,7,9H2,1-2,4-5H3/b8-6-
InChIKeyOTDTTYFSMKUFHQ-VURMDHGXSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.24
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 (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine?
The IUPAC name of (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine (CID 166941662) is (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine.
What is the SMILES notation for (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine?
The canonical SMILES for (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine is C=C(C(/C=C\C)NC)C(CCC)SC.
What is the InChIKey of (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine?
The InChIKey is OTDTTYFSMKUFHQ-VURMDHGXSA-N. The full InChI is InChI=1S/C12H23NS/c1-6-8-11(13-4)10(3)12(14-5)9-7-2/h6,8,11-13H,3,7,9H2,1-2,4-5H3/b8-6-.
What are the key properties of (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine?
(Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine has a molecular weight of 213.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-5-methylidene-6-methylsulfanylnon-2-en-4-amine is sourced from PubChem (CID 166941662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).