(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine

C18H25N — CID 126592730

IUPAC(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine
SMILES[H]/N=C/CCC(=C)/C(C)=C(\C)CC=C=CC(=C=C)CC
InChIInChI=1S/C18H25N/c1-6-18(7-2)13-9-8-11-15(3)17(5)16(4)12-10-14-19/h8,13-14,19H,1,4,7,10-12H2,2-3,5H3/b17-15+,19-14+
InChIKeyBQLYRELBANXXCY-UHOLLTQSSA-N
MW255.40 g/mol
LogP5.53
Rot. Bonds8

About (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine

(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine (PubChem CID 126592730) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine.

Molecular Properties

Compound Name(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine
PubChem CID126592730
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine
SMILES[H]/N=C/CCC(=C)/C(C)=C(\C)CC=C=CC(=C=C)CC
InChIInChI=1S/C18H25N/c1-6-18(7-2)13-9-8-11-15(3)17(5)16(4)12-10-14-19/h8,13-14,19H,1,4,7,10-12H2,2-3,5H3/b17-15+,19-14+
InChIKeyBQLYRELBANXXCY-UHOLLTQSSA-N
XLogP5.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine?
The IUPAC name of (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine (CID 126592730) is (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine.
What is the SMILES notation for (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine?
The canonical SMILES for (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine is [H]/N=C/CCC(=C)/C(C)=C(\C)CC=C=CC(=C=C)CC.
What is the InChIKey of (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine?
The InChIKey is BQLYRELBANXXCY-UHOLLTQSSA-N. The full InChI is InChI=1S/C18H25N/c1-6-18(7-2)13-9-8-11-15(3)17(5)16(4)12-10-14-19/h8,13-14,19H,1,4,7,10-12H2,2-3,5H3/b17-15+,19-14+.
What are the key properties of (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine?
(5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine has a molecular weight of 255.40 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-11-ethyl-5,6-dimethyl-4-methylidenetrideca-5,8,9,11,12-pentaen-1-imine is sourced from PubChem (CID 126592730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).