(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine

C13H23N — CID 126592939

IUPAC(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine
SMILES[H]/N=C(/CCCC[C@H](C)C(=C)C)C(=C)C
InChIInChI=1S/C13H23N/c1-10(2)12(5)8-6-7-9-13(14)11(3)4/h12,14H,1,3,6-9H2,2,4-5H3/b14-13-/t12-/m0/s1
InChIKeyLSAOGBPIQNSHDO-JOLOJFPGSA-N
MW193.33 g/mol
LogP4.35
Rot. Bonds7

About (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine

(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine (PubChem CID 126592939) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine.

Molecular Properties

Compound Name(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine
PubChem CID126592939
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine
SMILES[H]/N=C(/CCCC[C@H](C)C(=C)C)C(=C)C
InChIInChI=1S/C13H23N/c1-10(2)12(5)8-6-7-9-13(14)11(3)4/h12,14H,1,3,6-9H2,2,4-5H3/b14-13-/t12-/m0/s1
InChIKeyLSAOGBPIQNSHDO-JOLOJFPGSA-N
XLogP4.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine?
The IUPAC name of (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine (CID 126592939) is (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine.
What is the SMILES notation for (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine?
The canonical SMILES for (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine is [H]/N=C(/CCCC[C@H](C)C(=C)C)C(=C)C.
What is the InChIKey of (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine?
The InChIKey is LSAOGBPIQNSHDO-JOLOJFPGSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)12(5)8-6-7-9-13(14)11(3)4/h12,14H,1,3,6-9H2,2,4-5H3/b14-13-/t12-/m0/s1.
What are the key properties of (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine?
(8S)-2,8,9-trimethyldeca-1,9-dien-3-imine has a molecular weight of 193.33 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2,8,9-trimethyldeca-1,9-dien-3-imine is sourced from PubChem (CID 126592939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).