N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine

C17H24N2 — CID 91314131

IUPACN,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
SMILESC/N=C1\CCN(CC2=CC(C)C=CC=C2)C(C)=C1C
InChIInChI=1S/C17H24N2/c1-13-7-5-6-8-16(11-13)12-19-10-9-17(18-4)14(2)15(19)3/h5-8,11,13H,9-10,12H2,1-4H3/b18-17+
InChIKeyDVSZVDWTZFAGKB-ISLYRVAYSA-N
MW256.39 g/mol
LogP3.75
Rot. Bonds2

About N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine

N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine (PubChem CID 91314131) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine.

Molecular Properties

Compound NameN,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
PubChem CID91314131
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
SMILESC/N=C1\CCN(CC2=CC(C)C=CC=C2)C(C)=C1C
InChIInChI=1S/C17H24N2/c1-13-7-5-6-8-16(11-13)12-19-10-9-17(18-4)14(2)15(19)3/h5-8,11,13H,9-10,12H2,1-4H3/b18-17+
InChIKeyDVSZVDWTZFAGKB-ISLYRVAYSA-N
XLogP3.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine?
The IUPAC name of N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine (CID 91314131) is N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine.
What is the SMILES notation for N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine?
The canonical SMILES for N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine is C/N=C1\CCN(CC2=CC(C)C=CC=C2)C(C)=C1C.
What is the InChIKey of N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine?
The InChIKey is DVSZVDWTZFAGKB-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-7-5-6-8-16(11-13)12-19-10-9-17(18-4)14(2)15(19)3/h5-8,11,13H,9-10,12H2,1-4H3/b18-17+.
What are the key properties of N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine?
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine has a molecular weight of 256.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine is sourced from PubChem (CID 91314131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).