N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene

C32H42N2 — CID 143536275

IUPACN-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene
SMILESC/C=N/c1cc(C)ccc1C.CCc1cccc2ccccc12.CNC.Cc1ccc(C)cc1
InChIInChI=1S/C12H12.C10H13N.C8H10.C2H7N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-11-10-7-8(2)5-6-9(10)3;1-7-3-5-8(2)6-4-7;1-3-2/h3-9H,2H2,1H3;4-7H,1-3H3;3-6H,1-2H3;3H,1-2H3/b;11-4+;;
InChIKeyGJUOQTAJNKMWBA-CXJAFKJCSA-N
MW454.70 g/mol
LogP8.57
Rot. Bonds2

About N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene

N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene (PubChem CID 143536275) has the molecular formula C32H42N2 and a molecular weight of 454.70 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene
PubChem CID143536275
Molecular FormulaC32H42N2
Molecular Weight454.70 g/mol
Exact Mass454.33
IUPAC NameN-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene
SMILESC/C=N/c1cc(C)ccc1C.CCc1cccc2ccccc12.CNC.Cc1ccc(C)cc1
InChIInChI=1S/C12H12.C10H13N.C8H10.C2H7N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-11-10-7-8(2)5-6-9(10)3;1-7-3-5-8(2)6-4-7;1-3-2/h3-9H,2H2,1H3;4-7H,1-3H3;3-6H,1-2H3;3H,1-2H3/b;11-4+;;
InChIKeyGJUOQTAJNKMWBA-CXJAFKJCSA-N
XLogP8.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 58.57
H-Bond Donors ≤ 51
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-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene?
The IUPAC name of N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene (CID 143536275) is N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene.
What is the SMILES notation for N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene?
The canonical SMILES for N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene is C/C=N/c1cc(C)ccc1C.CCc1cccc2ccccc12.CNC.Cc1ccc(C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene?
The InChIKey is GJUOQTAJNKMWBA-CXJAFKJCSA-N. The full InChI is InChI=1S/C12H12.C10H13N.C8H10.C2H7N/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-11-10-7-8(2)5-6-9(10)3;1-7-3-5-8(2)6-4-7;1-3-2/h3-9H,2H2,1H3;4-7H,1-3H3;3-6H,1-2H3;3H,1-2H3/b;11-4+;;.
What are the key properties of N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene?
N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene has a molecular weight of 454.70 g/mol, XLogP of 8.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)ethanimine;1-ethylnaphthalene;N-methylmethanamine;1,4-xylene is sourced from PubChem (CID 143536275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).