5-butyl-N,N-dimethyl-2-(methylideneamino)aniline

C13H20N2 — CID 146533269

IUPAC5-butyl-N,N-dimethyl-2-(methylideneamino)aniline
SMILESC=Nc1ccc(CCCC)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-5-6-7-11-8-9-12(14-2)13(10-11)15(3)4/h8-10H,2,5-7H2,1,3-4H3
InChIKeyUFNZFZMMVJUNOE-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.43
Rot. Bonds5

About 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline

5-butyl-N,N-dimethyl-2-(methylideneamino)aniline (PubChem CID 146533269) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline.

Molecular Properties

Compound Name5-butyl-N,N-dimethyl-2-(methylideneamino)aniline
PubChem CID146533269
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-butyl-N,N-dimethyl-2-(methylideneamino)aniline
SMILESC=Nc1ccc(CCCC)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-5-6-7-11-8-9-12(14-2)13(10-11)15(3)4/h8-10H,2,5-7H2,1,3-4H3
InChIKeyUFNZFZMMVJUNOE-UHFFFAOYSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.43
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

4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
CID 121286154
1-butyl-4-nonylbenzene
CID 59545302
4-heptyl-N,N-dimethylaniline
CID 20777180
2-butyl-6-propylnaphthalene
CID 58232616
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
5-(4-aminobutyl)-2-bromo-N,N-dimethylaniline
CID 117115684
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
CID 115113337
bis(4-butylphenyl)methylphosphane
CID 90110025
2-butyl-6-propylnaphthalene;propane
CID 123540121
2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
CID 139628924

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline?
The IUPAC name of 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline (CID 146533269) is 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline.
What is the SMILES notation for 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline?
The canonical SMILES for 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline is C=Nc1ccc(CCCC)cc1N(C)C.
What is the InChIKey of 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline?
The InChIKey is UFNZFZMMVJUNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-7-11-8-9-12(14-2)13(10-11)15(3)4/h8-10H,2,5-7H2,1,3-4H3.
What are the key properties of 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline?
5-butyl-N,N-dimethyl-2-(methylideneamino)aniline has a molecular weight of 204.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-dimethyl-2-(methylideneamino)aniline is sourced from PubChem (CID 146533269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).