1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine

C14H21N — CID 166798173

IUPAC1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine
SMILESC=Cc1c(CCC)cccc1CN(C)C
InChIInChI=1S/C14H21N/c1-5-8-12-9-7-10-13(11-15(3)4)14(12)6-2/h6-7,9-10H,2,5,8,11H2,1,3-4H3
InChIKeyNTMYMEUWWNZSCC-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine

1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine (PubChem CID 166798173) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine
PubChem CID166798173
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine
SMILESC=Cc1c(CCC)cccc1CN(C)C
InChIInChI=1S/C14H21N/c1-5-8-12-9-7-10-13(11-15(3)4)14(12)6-2/h6-7,9-10H,2,5,8,11H2,1,3-4H3
InChIKeyNTMYMEUWWNZSCC-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine (CID 166798173) is 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine is C=Cc1c(CCC)cccc1CN(C)C.
What is the InChIKey of 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine?
The InChIKey is NTMYMEUWWNZSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-8-12-9-7-10-13(11-15(3)4)14(12)6-2/h6-7,9-10H,2,5,8,11H2,1,3-4H3.
What are the key properties of 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine?
1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 166798173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).