(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine

C16H25N — CID 123804455

IUPAC(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine
SMILES[H]N=C(C(=C)C(=C)C)/C(=C/CC(C)=C(C)C)CC
InChIInChI=1S/C16H25N/c1-8-15(10-9-13(6)11(2)3)16(17)14(7)12(4)5/h10,17H,4,7-9H2,1-3,5-6H3/b15-10+,17-16+
InChIKeySYHGNVJYNOXWAH-NRQQLHKUSA-N
MW231.38 g/mol
LogP5.22
Rot. Bonds6

About (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine

(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine (PubChem CID 123804455) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine.

Molecular Properties

Compound Name(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine
PubChem CID123804455
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine
SMILES[H]N=C(C(=C)C(=C)C)/C(=C/CC(C)=C(C)C)CC
InChIInChI=1S/C16H25N/c1-8-15(10-9-13(6)11(2)3)16(17)14(7)12(4)5/h10,17H,4,7-9H2,1-3,5-6H3/b15-10+,17-16+
InChIKeySYHGNVJYNOXWAH-NRQQLHKUSA-N
XLogP5.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine?
The IUPAC name of (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine (CID 123804455) is (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine.
What is the SMILES notation for (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine?
The canonical SMILES for (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine is [H]N=C(C(=C)C(=C)C)/C(=C/CC(C)=C(C)C)CC.
What is the InChIKey of (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine?
The InChIKey is SYHGNVJYNOXWAH-NRQQLHKUSA-N. The full InChI is InChI=1S/C16H25N/c1-8-15(10-9-13(6)11(2)3)16(17)14(7)12(4)5/h10,17H,4,7-9H2,1-3,5-6H3/b15-10+,17-16+.
What are the key properties of (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine?
(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine has a molecular weight of 231.38 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine is sourced from PubChem (CID 123804455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).