N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine

C11H13N — CID 91404340

IUPACN-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine
SMILESC=NCC1=CCC=C=C(C)C=C1
InChIInChI=1S/C11H13N/c1-10-5-3-4-6-11(8-7-10)9-12-2/h3,6-8H,2,4,9H2,1H3
InChIKeyRAGZUBLGELMYAT-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.67
Rot. Bonds2

About N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine

N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine (PubChem CID 91404340) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine
PubChem CID91404340
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine
SMILESC=NCC1=CCC=C=C(C)C=C1
InChIInChI=1S/C11H13N/c1-10-5-3-4-6-11(8-7-10)9-12-2/h3,6-8H,2,4,9H2,1H3
InChIKeyRAGZUBLGELMYAT-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine?
The IUPAC name of N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine (CID 91404340) is N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine.
What is the SMILES notation for N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine?
The canonical SMILES for N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine is C=NCC1=CCC=C=C(C)C=C1.
What is the InChIKey of N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine?
The InChIKey is RAGZUBLGELMYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-10-5-3-4-6-11(8-7-10)9-12-2/h3,6-8H,2,4,9H2,1H3.
What are the key properties of N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine?
N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine has a molecular weight of 159.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylcycloocta-1,4,5,7-tetraen-1-yl)methyl]methanimine is sourced from PubChem (CID 91404340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).