N,N-dibutyl-5-ethenyl-2-methylaniline

C17H27N — CID 150258021

IUPACN,N-dibutyl-5-ethenyl-2-methylaniline
SMILESC=Cc1ccc(C)c(N(CCCC)CCCC)c1
InChIInChI=1S/C17H27N/c1-5-8-12-18(13-9-6-2)17-14-16(7-3)11-10-15(17)4/h7,10-11,14H,3,5-6,8-9,12-13H2,1-2,4H3
InChIKeyGAYUUBGSCFWWKC-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.04
Rot. Bonds8

About N,N-dibutyl-5-ethenyl-2-methylaniline

N,N-dibutyl-5-ethenyl-2-methylaniline (PubChem CID 150258021) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,N-dibutyl-5-ethenyl-2-methylaniline.

Molecular Properties

Compound NameN,N-dibutyl-5-ethenyl-2-methylaniline
PubChem CID150258021
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,N-dibutyl-5-ethenyl-2-methylaniline
SMILESC=Cc1ccc(C)c(N(CCCC)CCCC)c1
InChIInChI=1S/C17H27N/c1-5-8-12-18(13-9-6-2)17-14-16(7-3)11-10-15(17)4/h7,10-11,14H,3,5-6,8-9,12-13H2,1-2,4H3
InChIKeyGAYUUBGSCFWWKC-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-ethenyl-2-methylaniline?
The IUPAC name of N,N-dibutyl-5-ethenyl-2-methylaniline (CID 150258021) is N,N-dibutyl-5-ethenyl-2-methylaniline.
What is the SMILES notation for N,N-dibutyl-5-ethenyl-2-methylaniline?
The canonical SMILES for N,N-dibutyl-5-ethenyl-2-methylaniline is C=Cc1ccc(C)c(N(CCCC)CCCC)c1.
What is the InChIKey of N,N-dibutyl-5-ethenyl-2-methylaniline?
The InChIKey is GAYUUBGSCFWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-8-12-18(13-9-6-2)17-14-16(7-3)11-10-15(17)4/h7,10-11,14H,3,5-6,8-9,12-13H2,1-2,4H3.
What are the key properties of N,N-dibutyl-5-ethenyl-2-methylaniline?
N,N-dibutyl-5-ethenyl-2-methylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-ethenyl-2-methylaniline is sourced from PubChem (CID 150258021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).