N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine

C19H30N2 — CID 88599363

IUPACN'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine
SMILESCC(C)N=C=Nc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C19H30N2/c1-12(2)16-9-10-17(21-11-20-15(7)8)19(14(5)6)18(16)13(3)4/h9-10,12-15H,1-8H3
InChIKeyKOWCRZFVEDEVCR-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.27
Rot. Bonds5

About N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine

N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine (PubChem CID 88599363) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine.

Molecular Properties

Compound NameN'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine
PubChem CID88599363
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine
SMILESCC(C)N=C=Nc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C19H30N2/c1-12(2)16-9-10-17(21-11-20-15(7)8)19(14(5)6)18(16)13(3)4/h9-10,12-15H,1-8H3
InChIKeyKOWCRZFVEDEVCR-UHFFFAOYSA-N
XLogP6.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-N'-propan-2-ylmethanediimine
CID 158127394
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
CID 19977431
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
N,N'-di(propan-2-yl)methanediimine;hydrobromide
CID 88647756
CID 160931702
CID 160931702
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
azane;2,3,4-tri(propan-2-yl)benzenesulfonic acid
CID 173448349
4,5-di(propan-2-yl)benzimidazole
CID 87228289
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine?
The IUPAC name of N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine (CID 88599363) is N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine.
What is the SMILES notation for N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine?
The canonical SMILES for N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine is CC(C)N=C=Nc1ccc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine?
The InChIKey is KOWCRZFVEDEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-12(2)16-9-10-17(21-11-20-15(7)8)19(14(5)6)18(16)13(3)4/h9-10,12-15H,1-8H3.
What are the key properties of N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine?
N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine has a molecular weight of 286.46 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[2,3,4-tri(propan-2-yl)phenyl]methanediimine is sourced from PubChem (CID 88599363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).