4-butyl-2-methanimidoyl-N,6-dimethylaniline

C13H20N2 — CID 145203726

IUPAC4-butyl-2-methanimidoyl-N,6-dimethylaniline
SMILES[H]/N=C/c1cc(CCCC)cc(C)c1NC
InChIInChI=1S/C13H20N2/c1-4-5-6-11-7-10(2)13(15-3)12(8-11)9-14/h7-9,14-15H,4-6H2,1-3H3/b14-9+
InChIKeyLHOITJSLPBRISV-NTEUORMPSA-N
MW204.32 g/mol
LogP3.38
Rot. Bonds5

About 4-butyl-2-methanimidoyl-N,6-dimethylaniline

4-butyl-2-methanimidoyl-N,6-dimethylaniline (PubChem CID 145203726) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-butyl-2-methanimidoyl-N,6-dimethylaniline.

Molecular Properties

Compound Name4-butyl-2-methanimidoyl-N,6-dimethylaniline
PubChem CID145203726
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-butyl-2-methanimidoyl-N,6-dimethylaniline
SMILES[H]/N=C/c1cc(CCCC)cc(C)c1NC
InChIInChI=1S/C13H20N2/c1-4-5-6-11-7-10(2)13(15-3)12(8-11)9-14/h7-9,14-15H,4-6H2,1-3H3/b14-9+
InChIKeyLHOITJSLPBRISV-NTEUORMPSA-N
XLogP3.38
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine
CID 174702286
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
(2-butylphenyl)methanimine
CID 143221510
(5-butoxy-2-methylphenyl)methanimine
CID 168997524
5-butyl-1,2,3-trimethylbenzene;propan-1-ol;3-(3,4,5-trimethylphenyl)propan-1-ol
CID 158029369
5-ethyl-2-methanimidoyl-N-methylaniline
CID 143482570
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
CID 137143929
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
ethane;N,2,4-trimethyl-6-propylaniline
CID 144922469

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methanimidoyl-N,6-dimethylaniline?
The IUPAC name of 4-butyl-2-methanimidoyl-N,6-dimethylaniline (CID 145203726) is 4-butyl-2-methanimidoyl-N,6-dimethylaniline.
What is the SMILES notation for 4-butyl-2-methanimidoyl-N,6-dimethylaniline?
The canonical SMILES for 4-butyl-2-methanimidoyl-N,6-dimethylaniline is [H]/N=C/c1cc(CCCC)cc(C)c1NC.
What is the InChIKey of 4-butyl-2-methanimidoyl-N,6-dimethylaniline?
The InChIKey is LHOITJSLPBRISV-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-6-11-7-10(2)13(15-3)12(8-11)9-14/h7-9,14-15H,4-6H2,1-3H3/b14-9+.
What are the key properties of 4-butyl-2-methanimidoyl-N,6-dimethylaniline?
4-butyl-2-methanimidoyl-N,6-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methanimidoyl-N,6-dimethylaniline is sourced from PubChem (CID 145203726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).