(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine

C18H32N2 — CID 134559627

IUPAC(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\N=C(C)\C=C\CCCCCC)C(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-8-9-10-11-12-13-15(2)20-14-17(16(3)19)18(4,5)6/h12-14,19H,7-11H2,1-6H3/b13-12+,17-14+,19-16+,20-15+
InChIKeySNMJVDQHQOLMDB-XBEVMQPOSA-N
MW276.47 g/mol
LogP5.94
Rot. Bonds8

About (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine

(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine (PubChem CID 134559627) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine
PubChem CID134559627
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\N=C(C)\C=C\CCCCCC)C(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-8-9-10-11-12-13-15(2)20-14-17(16(3)19)18(4,5)6/h12-14,19H,7-11H2,1-6H3/b13-12+,17-14+,19-16+,20-15+
InChIKeySNMJVDQHQOLMDB-XBEVMQPOSA-N
XLogP5.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine?
The IUPAC name of (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine (CID 134559627) is (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine.
What is the SMILES notation for (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine?
The canonical SMILES for (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine is [H]/N=C(C)/C(=C\N=C(C)\C=C\CCCCCC)C(C)(C)C.
What is the InChIKey of (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine?
The InChIKey is SNMJVDQHQOLMDB-XBEVMQPOSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-8-9-10-11-12-13-15(2)20-14-17(16(3)19)18(4,5)6/h12-14,19H,7-11H2,1-6H3/b13-12+,17-14+,19-16+,20-15+.
What are the key properties of (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine?
(E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine has a molecular weight of 276.47 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2-ethanimidoyl-3,3-dimethylbut-1-enyl]dec-3-en-2-imine is sourced from PubChem (CID 134559627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).