(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide

C21H27N2- — CID 102509791

IUPAC(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide
SMILESC/C(CC(C)[N-]c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C21H27N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12,18H,13H2,1-6H3/q-1/b23-19+
InChIKeyDQWBUZWKCQLEEQ-FCDQGJHFSA-N
MW307.46 g/mol
LogP6.50
Rot. Bonds5

About (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide

(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide (PubChem CID 102509791) has the molecular formula C21H27N2- and a molecular weight of 307.46 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide
PubChem CID102509791
Molecular FormulaC21H27N2-
Molecular Weight307.46 g/mol
Exact Mass307.22
IUPAC Name(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide
SMILESC/C(CC(C)[N-]c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C21H27N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12,18H,13H2,1-6H3/q-1/b23-19+
InChIKeyDQWBUZWKCQLEEQ-FCDQGJHFSA-N
XLogP6.50
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
tris(dimethylazanide);[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-(2,6-dimethylphenyl)azanide;zirconium(4+)
CID 139156798
N-(2-fluoro-6-methylphenyl)butan-2-imine
CID 142004237
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))
CID 139118896
[2-(dimethylamino)-2-(2,6-dimethylphenyl)iminoethyl]-(2,6-dimethylphenyl)azanide;tris(dimethylazanide);zirconium(4+)
CID 139100173
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-3-propan-2-ylurea
CID 135689317
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide?
The IUPAC name of (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide (CID 102509791) is (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide.
What is the SMILES notation for (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide?
The canonical SMILES for (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide is C/C(CC(C)[N-]c1c(C)cccc1C)=N\c1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide?
The InChIKey is DQWBUZWKCQLEEQ-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H27N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12,18H,13H2,1-6H3/q-1/b23-19+.
What are the key properties of (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide?
(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide has a molecular weight of 307.46 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide is sourced from PubChem (CID 102509791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).