butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene

C30H53NO2 — CID 143995996

IUPACbutane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
SMILESC/C=N/c1c(C)cccc1C.C=O.C=O.CC.CCCC.CCCC.Cc1ccc(C)cc1
InChIInChI=1S/C10H13N.C8H10.2C4H10.C2H6.2CH2O/c1-4-11-10-8(2)6-5-7-9(10)3;1-7-3-5-8(2)6-4-7;2*1-3-4-2;3*1-2/h4-7H,1-3H3;3-6H,1-2H3;2*3-4H2,1-2H3;1-2H3;2*1H2/b11-4+;;;;;;
InChIKeyAVTWDJOGQGLITO-MRHOUVKRSA-N
MW459.76 g/mol
LogP9.60
Rot. Bonds3

About butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene

butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene (PubChem CID 143995996) has the molecular formula C30H53NO2 and a molecular weight of 459.76 g/mol. Its IUPAC name is butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene.

Molecular Properties

Compound Namebutane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
PubChem CID143995996
Molecular FormulaC30H53NO2
Molecular Weight459.76 g/mol
Exact Mass459.41
IUPAC Namebutane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
SMILESC/C=N/c1c(C)cccc1C.C=O.C=O.CC.CCCC.CCCC.Cc1ccc(C)cc1
InChIInChI=1S/C10H13N.C8H10.2C4H10.C2H6.2CH2O/c1-4-11-10-8(2)6-5-7-9(10)3;1-7-3-5-8(2)6-4-7;2*1-3-4-2;3*1-2/h4-7H,1-3H3;3-6H,1-2H3;2*3-4H2,1-2H3;1-2H3;2*1H2/b11-4+;;;;;;
InChIKeyAVTWDJOGQGLITO-MRHOUVKRSA-N
XLogP9.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylene;butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1-methylnaphthalene
CID 143996006
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
N-(2,6-diethylphenyl)ethanimine;ethane
CID 177158667
formaldehyde;hexane;1,4-xylene
CID 143308406
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
CID 12818328
butane;2,6-dimethylphenol;ethane
CID 143018459
butane;methane;1,3-xylene;1,4-xylene
CID 159094623
butane;but-2-ene;but-2-yne;ethane;methane;1,4-xylene
CID 159150039
2-[[2-(ethylideneamino)-3-methylphenyl]sulfanyl-methylamino]-2-methylpropanal
CID 144523007

Frequently Asked Questions

What is the IUPAC name of butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene?
The IUPAC name of butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene (CID 143995996) is butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene.
What is the SMILES notation for butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene?
The canonical SMILES for butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene is C/C=N/c1c(C)cccc1C.C=O.C=O.CC.CCCC.CCCC.Cc1ccc(C)cc1.
What is the InChIKey of butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene?
The InChIKey is AVTWDJOGQGLITO-MRHOUVKRSA-N. The full InChI is InChI=1S/C10H13N.C8H10.2C4H10.C2H6.2CH2O/c1-4-11-10-8(2)6-5-7-9(10)3;1-7-3-5-8(2)6-4-7;2*1-3-4-2;3*1-2/h4-7H,1-3H3;3-6H,1-2H3;2*3-4H2,1-2H3;1-2H3;2*1H2/b11-4+;;;;;;.
What are the key properties of butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene?
butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene has a molecular weight of 459.76 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene is sourced from PubChem (CID 143995996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).