N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine

C10H17NS — CID 143636412

IUPACN-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine
SMILESC=NCSCC/C=C\C=C/CC
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-8-9-12-10-11-2/h4-7H,2-3,8-10H2,1H3/b5-4-,7-6-
InChIKeyUYRZUCUXUISZTJ-RZSVFLSASA-N
MW183.32 g/mol
LogP3.29
Rot. Bonds7

About N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine

N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine (PubChem CID 143636412) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine.

Molecular Properties

Compound NameN-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine
PubChem CID143636412
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine
SMILESC=NCSCC/C=C\C=C/CC
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-8-9-12-10-11-2/h4-7H,2-3,8-10H2,1H3/b5-4-,7-6-
InChIKeyUYRZUCUXUISZTJ-RZSVFLSASA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-hepta-2,4-dien-4-yl] N-methylmethanimidothioate
CID 142887678
ethane;ethene;[(3Z)-6-methylhepta-3,5-dienyl] N-methylmethanimidothioate
CID 143483188
cyclohexa-1,5-dien-1-ylmethyl N-methylmethanimidothioate;ethane
CID 145555072
[(4Z)-hexa-1,4-dien-2-yl] N-methylmethanimidothioate
CID 145611060
[(3Z)-6-methylhepta-3,5-dienyl] N-methylmethanimidothioate
CID 143483189
[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl] N-methylmethanimidothioate
CID 155707553

Frequently Asked Questions

What is the IUPAC name of N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine?
The IUPAC name of N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine (CID 143636412) is N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine.
What is the SMILES notation for N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine?
The canonical SMILES for N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine is C=NCSCC/C=C\C=C/CC.
What is the InChIKey of N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine?
The InChIKey is UYRZUCUXUISZTJ-RZSVFLSASA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-7-8-9-12-10-11-2/h4-7H,2-3,8-10H2,1H3/b5-4-,7-6-.
What are the key properties of N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine?
N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine has a molecular weight of 183.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3Z,5Z)-octa-3,5-dienyl]sulfanylmethyl]methanimine is sourced from PubChem (CID 143636412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).