N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine

C19H30N2 — CID 174867953

IUPACN'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine
SMILESCC(C)CN=C=Nc1cccc(CC(C)C)c1CC(C)C
InChIInChI=1S/C19H30N2/c1-14(2)10-17-8-7-9-19(18(17)11-15(3)4)21-13-20-12-16(5)6/h7-9,14-16H,10-12H2,1-6H3
InChIKeyDVQHYAZBRUULJY-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.55
Rot. Bonds7

About N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine

N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine (PubChem CID 174867953) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine.

Molecular Properties

Compound NameN'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine
PubChem CID174867953
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine
SMILESCC(C)CN=C=Nc1cccc(CC(C)C)c1CC(C)C
InChIInChI=1S/C19H30N2/c1-14(2)10-17-8-7-9-19(18(17)11-15(3)4)21-13-20-12-16(5)6/h7-9,14-16H,10-12H2,1-6H3
InChIKeyDVQHYAZBRUULJY-UHFFFAOYSA-N
XLogP5.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.55
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

1-isothiocyanato-2,3-bis(2-methylpropyl)benzene
CID 122700738
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
N'-(2,3-diethylphenyl)-N-phenylmethanediimine
CID 87072891
4-(2-methylpropyl)-2,1,3-benzothiadiazole
CID 23566522
1,3-bis(2-methylpropyl)-2-[(2-nitrophenyl)methyl]benzene
CID 159565543
CID 67436949
CID 67436949
1,2-diethyl-3-isothiocyanatobenzene
CID 122700830
N'-(2,3-diethylphenyl)methanediimine
CID 154466708
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
2-(ethoxymethoxy)-3-(2-methylpropyl)phenol
CID 11345115

Frequently Asked Questions

What is the IUPAC name of N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine?
The IUPAC name of N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine (CID 174867953) is N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine.
What is the SMILES notation for N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine?
The canonical SMILES for N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine is CC(C)CN=C=Nc1cccc(CC(C)C)c1CC(C)C.
What is the InChIKey of N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine?
The InChIKey is DVQHYAZBRUULJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)10-17-8-7-9-19(18(17)11-15(3)4)21-13-20-12-16(5)6/h7-9,14-16H,10-12H2,1-6H3.
What are the key properties of N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine?
N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine has a molecular weight of 286.46 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,3-bis(2-methylpropyl)phenyl]-N-(2-methylpropyl)methanediimine is sourced from PubChem (CID 174867953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).