2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline

C13H19N — CID 166146948

IUPAC2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
SMILESC=Cc1c(C(C)C)cccc1N(C)C
InChIInChI=1S/C13H19N/c1-6-11-12(10(2)3)8-7-9-13(11)14(4)5/h6-10H,1H2,2-5H3
InChIKeyQNCPBXZWTVQJLB-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds3

About 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline

2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline (PubChem CID 166146948) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline.

Molecular Properties

Compound Name2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
PubChem CID166146948
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
SMILESC=Cc1c(C(C)C)cccc1N(C)C
InChIInChI=1S/C13H19N/c1-6-11-12(10(2)3)8-7-9-13(11)14(4)5/h6-10H,1H2,2-5H3
InChIKeyQNCPBXZWTVQJLB-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
CID 142450771
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
1-ethenyl-N,N-dimethylnaphthalen-2-amine
CID 152636612
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-chloro-1-ethenyl-3-propan-2-ylbenzene
CID 118269122
(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
CID 90429610
1-N-ethenyl-2-N-methyl-1-N,3-di(propan-2-yl)benzene-1,2-diamine
CID 167190707
2-[(1Z)-buta-1,3-dienyl]-1-methyl-3-propan-2-ylbenzene;ethane
CID 142171523
CID 174992071
CID 174992071
CID 67343265
CID 67343265
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline?
The IUPAC name of 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline (CID 166146948) is 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline.
What is the SMILES notation for 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline?
The canonical SMILES for 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline is C=Cc1c(C(C)C)cccc1N(C)C.
What is the InChIKey of 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline?
The InChIKey is QNCPBXZWTVQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-6-11-12(10(2)3)8-7-9-13(11)14(4)5/h6-10H,1H2,2-5H3.
What are the key properties of 2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline?
2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.52, 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-3-propan-2-ylaniline is sourced from PubChem (CID 166146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).