N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine

C27H31N3 — CID 159677459

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3c2N[C@H](C)C3)n1
InChIInChI=1S/C27H31N3/c1-17(2)22-11-8-12-23(18(3)4)27(22)28-16-21-10-7-14-25(30-21)24-13-6-9-20-15-19(5)29-26(20)24/h6-14,16-19,29H,15H2,1-5H3/b28-16+/t19-/m1/s1
InChIKeyFYUCTVJHFNNJTC-UPHQNKNSSA-N
MW397.57 g/mol
LogP7.10
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine (PubChem CID 159677459) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine
PubChem CID159677459
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3c2N[C@H](C)C3)n1
InChIInChI=1S/C27H31N3/c1-17(2)22-11-8-12-23(18(3)4)27(22)28-16-21-10-7-14-25(30-21)24-13-6-9-20-15-19(5)29-26(20)24/h6-14,16-19,29H,15H2,1-5H3/b28-16+/t19-/m1/s1
InChIKeyFYUCTVJHFNNJTC-UPHQNKNSSA-N
XLogP7.10
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine (CID 159677459) is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3c2N[C@H](C)C3)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine?
The InChIKey is FYUCTVJHFNNJTC-UPHQNKNSSA-N. The full InChI is InChI=1S/C27H31N3/c1-17(2)22-11-8-12-23(18(3)4)27(22)28-16-21-10-7-14-25(30-21)24-13-6-9-20-15-19(5)29-26(20)24/h6-14,16-19,29H,15H2,1-5H3/b28-16+/t19-/m1/s1.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine has a molecular weight of 397.57 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine is sourced from PubChem (CID 159677459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).