(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine

C17H27FN2 — CID 91082091

IUPAC(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine
SMILES[H]/N=C1C(/N=C(\C)C(CC)CCCF)=C\C=C/CCC/1C
InChIInChI=1S/C17H27FN2/c1-4-15(10-8-12-18)14(3)20-16-11-7-5-6-9-13(2)17(16)19/h5,7,11,13,15,19H,4,6,8-10,12H2,1-3H3/b7-5-,16-11+,19-17+,20-14+
InChIKeySAYNLDJVMWSJDF-RQVQHEQQSA-N
MW278.41 g/mol
LogP5.11
Rot. Bonds6

About (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine

(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine (PubChem CID 91082091) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine
PubChem CID91082091
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine
SMILES[H]/N=C1C(/N=C(\C)C(CC)CCCF)=C\C=C/CCC/1C
InChIInChI=1S/C17H27FN2/c1-4-15(10-8-12-18)14(3)20-16-11-7-5-6-9-13(2)17(16)19/h5,7,11,13,15,19H,4,6,8-10,12H2,1-3H3/b7-5-,16-11+,19-17+,20-14+
InChIKeySAYNLDJVMWSJDF-RQVQHEQQSA-N
XLogP5.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine (CID 91082091) is (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine is [H]/N=C1C(/N=C(\C)C(CC)CCCF)=C\C=C/CCC/1C.
What is the InChIKey of (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine?
The InChIKey is SAYNLDJVMWSJDF-RQVQHEQQSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-15(10-8-12-18)14(3)20-16-11-7-5-6-9-13(2)17(16)19/h5,7,11,13,15,19H,4,6,8-10,12H2,1-3H3/b7-5-,16-11+,19-17+,20-14+.
What are the key properties of (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine?
(2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine has a molecular weight of 278.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(3-ethyl-6-fluorohexan-2-ylidene)amino]-8-methylcycloocta-2,4-dien-1-imine is sourced from PubChem (CID 91082091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).