(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine

C17H26N2 — CID 123989743

IUPAC(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
SMILES[H]/N=C(/C=C(C)/C(C)=C\C(=C\N=C(C)C)C(=C)C)CC
InChIInChI=1S/C17H26N2/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h9-11,18H,2,8H2,1,3-7H3/b14-9+,15-10+,16-11-,18-17+
InChIKeyLDQORMSWEAUKGW-HNAAFDMRSA-N
MW258.41 g/mol
LogP5.25
Rot. Bonds6

About (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine

(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine (PubChem CID 123989743) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine.

Molecular Properties

Compound Name(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
PubChem CID123989743
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
SMILES[H]/N=C(/C=C(C)/C(C)=C\C(=C\N=C(C)C)C(=C)C)CC
InChIInChI=1S/C17H26N2/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h9-11,18H,2,8H2,1,3-7H3/b14-9+,15-10+,16-11-,18-17+
InChIKeyLDQORMSWEAUKGW-HNAAFDMRSA-N
XLogP5.25
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine?
The IUPAC name of (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine (CID 123989743) is (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine.
What is the SMILES notation for (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine?
The canonical SMILES for (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine is [H]/N=C(/C=C(C)/C(C)=C\C(=C\N=C(C)C)C(=C)C)CC.
What is the InChIKey of (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine?
The InChIKey is LDQORMSWEAUKGW-HNAAFDMRSA-N. The full InChI is InChI=1S/C17H26N2/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h9-11,18H,2,8H2,1,3-7H3/b14-9+,15-10+,16-11-,18-17+.
What are the key properties of (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine?
(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine has a molecular weight of 258.41 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine is sourced from PubChem (CID 123989743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).