N-butyl-N,4-dimethylaniline;ethane

C14H25N — CID 176937760

IUPACN-butyl-N,4-dimethylaniline;ethane
SMILESCC.CCCCN(C)c1ccc(C)cc1
InChIInChI=1S/C12H19N.C2H6/c1-4-5-10-13(3)12-8-6-11(2)7-9-12;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3
InChIKeyYACHVAPPDKPWIC-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.26
Rot. Bonds4

About N-butyl-N,4-dimethylaniline;ethane

N-butyl-N,4-dimethylaniline;ethane (PubChem CID 176937760) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-butyl-N,4-dimethylaniline;ethane.

Molecular Properties

Compound NameN-butyl-N,4-dimethylaniline;ethane
PubChem CID176937760
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-butyl-N,4-dimethylaniline;ethane
SMILESCC.CCCCN(C)c1ccc(C)cc1
InChIInChI=1S/C12H19N.C2H6/c1-4-5-10-13(3)12-8-6-11(2)7-9-12;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3
InChIKeyYACHVAPPDKPWIC-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
N,4-dimethyl-N-propylaniline
CID 14671247
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N,4-dibutyl-N-methylaniline
CID 118183375
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N-ethyl-N,4-dimethylaniline
CID 3036494
4-(N,4-dimethylanilino)butanal
CID 145026678
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
CID 89273655

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4-dimethylaniline;ethane?
The IUPAC name of N-butyl-N,4-dimethylaniline;ethane (CID 176937760) is N-butyl-N,4-dimethylaniline;ethane.
What is the SMILES notation for N-butyl-N,4-dimethylaniline;ethane?
The canonical SMILES for N-butyl-N,4-dimethylaniline;ethane is CC.CCCCN(C)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N,4-dimethylaniline;ethane?
The InChIKey is YACHVAPPDKPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-4-5-10-13(3)12-8-6-11(2)7-9-12;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3.
What are the key properties of N-butyl-N,4-dimethylaniline;ethane?
N-butyl-N,4-dimethylaniline;ethane has a molecular weight of 207.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethylaniline;ethane is sourced from PubChem (CID 176937760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).