N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine

C23H35N — CID 144989008

IUPACN-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
SMILESC=C/C=C(CC)/C(/N=C(/C1=CCCC=C1C)C(C)CC)=C(/C)CC
InChIInChI=1S/C23H35N/c1-8-14-20(11-4)22(17(5)9-2)24-23(18(6)10-3)21-16-13-12-15-19(21)7/h8,14-16,18H,1,9-13H2,2-7H3/b20-14+,22-17+,24-23+
InChIKeyMUBMXTRKWGAVMA-JEEVEPOSSA-N
MW325.54 g/mol
LogP7.35
Rot. Bonds8

About N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine

N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine (PubChem CID 144989008) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine.

Molecular Properties

Compound NameN-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
PubChem CID144989008
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC NameN-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
SMILESC=C/C=C(CC)/C(/N=C(/C1=CCCC=C1C)C(C)CC)=C(/C)CC
InChIInChI=1S/C23H35N/c1-8-14-20(11-4)22(17(5)9-2)24-23(18(6)10-3)21-16-13-12-15-19(21)7/h8,14-16,18H,1,9-13H2,2-7H3/b20-14+,22-17+,24-23+
InChIKeyMUBMXTRKWGAVMA-JEEVEPOSSA-N
XLogP7.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine?
The IUPAC name of N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine (CID 144989008) is N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine.
What is the SMILES notation for N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine?
The canonical SMILES for N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine is C=C/C=C(CC)/C(/N=C(/C1=CCCC=C1C)C(C)CC)=C(/C)CC.
What is the InChIKey of N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine?
The InChIKey is MUBMXTRKWGAVMA-JEEVEPOSSA-N. The full InChI is InChI=1S/C23H35N/c1-8-14-20(11-4)22(17(5)9-2)24-23(18(6)10-3)21-16-13-12-15-19(21)7/h8,14-16,18H,1,9-13H2,2-7H3/b20-14+,22-17+,24-23+.
What are the key properties of N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine?
N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine has a molecular weight of 325.54 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-ethyl-3-methylocta-3,5,7-trien-4-yl]-2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)butan-1-imine is sourced from PubChem (CID 144989008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).