ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine

C19H37N — CID 144504970

IUPACethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\N=C)C(C)C(C)(C)CC(C)(C)C(C)C.CC
InChIInChI=1S/C17H31N.C2H6/c1-10-11-15(18-9)14(4)17(7,8)12-16(5,6)13(2)3;1-2/h10-11,13-14H,1,9,12H2,2-8H3;1-2H3/b15-11-;
InChIKeyQAEIZBIPFHZMNT-PNCOJPCNSA-N
MW279.51 g/mol
LogP6.52
Rot. Bonds7

About ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine

ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine (PubChem CID 144504970) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine
PubChem CID144504970
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Nameethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine
SMILESC=C/C=C(\N=C)C(C)C(C)(C)CC(C)(C)C(C)C.CC
InChIInChI=1S/C17H31N.C2H6/c1-10-11-15(18-9)14(4)17(7,8)12-16(5,6)13(2)3;1-2/h10-11,13-14H,1,9,12H2,2-8H3;1-2H3/b15-11-;
InChIKeyQAEIZBIPFHZMNT-PNCOJPCNSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine with MolForge

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Related Compounds

N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine
CID 123310652
2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine
CID 123555712
3,6,6-trimethyl-3-nonan-5-yl-4H-cyclohepta[b]pyridine
CID 123857363
N-[7-(2,2-dimethylbutyl)-5,9,10-trimethyl-4-methylidenedodeca-6,10-dien-6-yl]methanimine
CID 123928685
N-[(4Z)-2,10-dimethylundeca-2,4-dien-5-yl]methanimine
CID 134302704
(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine
CID 134526689
ethane;N-[(1Z)-1-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexyl]buta-1,3-dienyl]methanimine
CID 144085379
N-[(2Z,4Z)-6,7,7,9,9-pentamethylundeca-2,4-dien-5-yl]methanimine
CID 144504826
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919
N-(2-ethenyl-6-methyl-5-propan-2-ylcyclohexen-1-yl)methanimine
CID 145337848
N-[(2Z,4Z)-6,6,8,8,11-pentamethyldodeca-2,4-dien-5-yl]methanimine
CID 155070922
N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine
CID 155281763

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine?
The IUPAC name of ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine (CID 144504970) is ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine.
What is the SMILES notation for ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine?
The canonical SMILES for ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine is C=C/C=C(\N=C)C(C)C(C)(C)CC(C)(C)C(C)C.CC.
What is the InChIKey of ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine?
The InChIKey is QAEIZBIPFHZMNT-PNCOJPCNSA-N. The full InChI is InChI=1S/C17H31N.C2H6/c1-10-11-15(18-9)14(4)17(7,8)12-16(5,6)13(2)3;1-2/h10-11,13-14H,1,9,12H2,2-8H3;1-2H3/b15-11-;.
What are the key properties of ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine?
ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine has a molecular weight of 279.51 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-5,6,6,8,8,9-hexamethyldeca-1,3-dien-4-yl]methanimine is sourced from PubChem (CID 144504970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).