(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine

C10H19NS — CID 89002712

IUPAC(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
SMILESC=C(/C(C)=C\C)[C@@H](N)CCSC
InChIInChI=1S/C10H19NS/c1-5-8(2)9(3)10(11)6-7-12-4/h5,10H,3,6-7,11H2,1-2,4H3/b8-5-/t10-/m0/s1
InChIKeyTXWIBTUAEBDRHQ-NVDWLVSRSA-N
MW185.34 g/mol
LogP2.59
Rot. Bonds5

About (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine

(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine (PubChem CID 89002712) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine.

Molecular Properties

Compound Name(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
PubChem CID89002712
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
SMILESC=C(/C(C)=C\C)[C@@H](N)CCSC
InChIInChI=1S/C10H19NS/c1-5-8(2)9(3)10(11)6-7-12-4/h5,10H,3,6-7,11H2,1-2,4H3/b8-5-/t10-/m0/s1
InChIKeyTXWIBTUAEBDRHQ-NVDWLVSRSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.59
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 (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine?
The IUPAC name of (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine (CID 89002712) is (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine.
What is the SMILES notation for (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine?
The canonical SMILES for (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine is C=C(/C(C)=C\C)[C@@H](N)CCSC.
What is the InChIKey of (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine?
The InChIKey is TXWIBTUAEBDRHQ-NVDWLVSRSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-8(2)9(3)10(11)6-7-12-4/h5,10H,3,6-7,11H2,1-2,4H3/b8-5-/t10-/m0/s1.
What are the key properties of (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine?
(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine is sourced from PubChem (CID 89002712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).