N,N-dibutyl-4-ethenylaniline

C16H25N — CID 15763454

IUPACN,N-dibutyl-4-ethenylaniline
SMILESC=Cc1ccc(N(CCCC)CCCC)cc1
InChIInChI=1S/C16H25N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3
InChIKeyKAVBRFJCUBOPFC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.74
Rot. Bonds8

About N,N-dibutyl-4-ethenylaniline

N,N-dibutyl-4-ethenylaniline (PubChem CID 15763454) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,N-dibutyl-4-ethenylaniline.

Molecular Properties

Compound NameN,N-dibutyl-4-ethenylaniline
PubChem CID15763454
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,N-dibutyl-4-ethenylaniline
SMILESC=Cc1ccc(N(CCCC)CCCC)cc1
InChIInChI=1S/C16H25N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3
InChIKeyKAVBRFJCUBOPFC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaniline
CID 949
Imipramine
CID 3696
Dimethyl-p-toluidine
CID 7471
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
N,N-Diethylaniline
CID 7061
Gentian violet cation
CID 3468
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-ethenylaniline?
The IUPAC name of N,N-dibutyl-4-ethenylaniline (CID 15763454) is N,N-dibutyl-4-ethenylaniline.
What is the SMILES notation for N,N-dibutyl-4-ethenylaniline?
The canonical SMILES for N,N-dibutyl-4-ethenylaniline is C=Cc1ccc(N(CCCC)CCCC)cc1.
What is the InChIKey of N,N-dibutyl-4-ethenylaniline?
The InChIKey is KAVBRFJCUBOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3.
What are the key properties of N,N-dibutyl-4-ethenylaniline?
N,N-dibutyl-4-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-4-ethenylaniline is sourced from PubChem (CID 15763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).