N,N-dibutyl-3-ethenylaniline

C16H25N — CID 66742864

IUPACN,N-dibutyl-3-ethenylaniline
SMILESC=Cc1cccc(N(CCCC)CCCC)c1
InChIInChI=1S/C16H25N/c1-4-7-12-17(13-8-5-2)16-11-9-10-15(6-3)14-16/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3
InChIKeyVJWVRWOUAHCDPR-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.74
Rot. Bonds8

About N,N-dibutyl-3-ethenylaniline

N,N-dibutyl-3-ethenylaniline (PubChem CID 66742864) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,N-dibutyl-3-ethenylaniline.

Molecular Properties

Compound NameN,N-dibutyl-3-ethenylaniline
PubChem CID66742864
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,N-dibutyl-3-ethenylaniline
SMILESC=Cc1cccc(N(CCCC)CCCC)c1
InChIInChI=1S/C16H25N/c1-4-7-12-17(13-8-5-2)16-11-9-10-15(6-3)14-16/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3
InChIKeyVJWVRWOUAHCDPR-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(10,10-dimethylundecyl)-3-ethenylaniline
CID 150846070
N,N-dibutyl-3-methylaniline
CID 15332677
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
N,N-dibutyl-5-ethenyl-2-methylaniline
CID 150258021
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
3-ethenyl-N-[4-(3-methylheptan-3-yl)phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89344348
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-ethenylaniline?
The IUPAC name of N,N-dibutyl-3-ethenylaniline (CID 66742864) is N,N-dibutyl-3-ethenylaniline.
What is the SMILES notation for N,N-dibutyl-3-ethenylaniline?
The canonical SMILES for N,N-dibutyl-3-ethenylaniline is C=Cc1cccc(N(CCCC)CCCC)c1.
What is the InChIKey of N,N-dibutyl-3-ethenylaniline?
The InChIKey is VJWVRWOUAHCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-12-17(13-8-5-2)16-11-9-10-15(6-3)14-16/h6,9-11,14H,3-5,7-8,12-13H2,1-2H3.
What are the key properties of N,N-dibutyl-3-ethenylaniline?
N,N-dibutyl-3-ethenylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-ethenylaniline is sourced from PubChem (CID 66742864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).