N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline

C19H24N2 — CID 87946949

IUPACN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
SMILES[H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-
InChIKeyPSZKVLODSLITCB-NDENLUEZSA-N
MW280.41 g/mol
LogP5.67
Rot. Bonds5

About N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline

N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline (PubChem CID 87946949) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
PubChem CID87946949
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
SMILES[H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-
InChIKeyPSZKVLODSLITCB-NDENLUEZSA-N
XLogP5.67
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.67
H-Bond Donors ≤ 52
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-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline (CID 87946949) is N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline is [H]/N=C\c1ccccc1Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is PSZKVLODSLITCB-NDENLUEZSA-N. The full InChI is InChI=1S/C19H24N2/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-18-11-6-5-8-15(18)12-20/h5-14,20-21H,1-4H3/b20-12-.
What are the key properties of N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline?
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline has a molecular weight of 280.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 87946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).