2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline

C17H27N — CID 145244021

IUPAC2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline
SMILESC=Cc1cc(C(C)(C)C(C)(C)C)ccc1N(C)C
InChIInChI=1S/C17H27N/c1-9-13-12-14(10-11-15(13)18(7)8)17(5,6)16(2,3)4/h9-12H,1H2,2-8H3
InChIKeyQRPXOXNUVOSQBH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.72
Rot. Bonds3

About 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline

2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline (PubChem CID 145244021) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline
PubChem CID145244021
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline
SMILESC=Cc1cc(C(C)(C)C(C)(C)C)ccc1N(C)C
InChIInChI=1S/C17H27N/c1-9-13-12-14(10-11-15(13)18(7)8)17(5,6)16(2,3)4/h9-12H,1H2,2-8H3
InChIKeyQRPXOXNUVOSQBH-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-ethenyl-N,N-dimethylaniline
CID 143235220
4-(dimethylamino)-3-ethenylbenzenethiol;ethane
CID 145478997
CID 170763162
CID 170763162
6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine
CID 59266361
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine
CID 155118585
2-ethenyl-5-methoxy-N,N-dimethylaniline
CID 170076614
4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde
CID 145002079
1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 141226069
4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene
CID 118362054
3-chloro-5-ethenyl-N,N-dimethylisoquinolin-8-amine
CID 177117108

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline?
The IUPAC name of 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline (CID 145244021) is 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline.
What is the SMILES notation for 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline?
The canonical SMILES for 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline is C=Cc1cc(C(C)(C)C(C)(C)C)ccc1N(C)C.
What is the InChIKey of 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline?
The InChIKey is QRPXOXNUVOSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-9-13-12-14(10-11-15(13)18(7)8)17(5,6)16(2,3)4/h9-12H,1H2,2-8H3.
What are the key properties of 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline?
2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N-dimethyl-4-(2,3,3-trimethylbutan-2-yl)aniline is sourced from PubChem (CID 145244021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).