N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane

C14H23N — CID 142073226

IUPACN,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
SMILESC=C(C)c1ccccc1CN(C)C.CC
InChIInChI=1S/C12H17N.C2H6/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-2/h5-8H,1,9H2,2-4H3;1-2H3
InChIKeyVFYQTMAMDYYWKK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.81
Rot. Bonds3

About N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane

N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane (PubChem CID 142073226) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
PubChem CID142073226
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
SMILESC=C(C)c1ccccc1CN(C)C.CC
InChIInChI=1S/C12H17N.C2H6/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-2/h5-8H,1,9H2,2-4H3;1-2H3
InChIKeyVFYQTMAMDYYWKK-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane (CID 142073226) is N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane is C=C(C)c1ccccc1CN(C)C.CC.
What is the InChIKey of N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane?
The InChIKey is VFYQTMAMDYYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-2/h5-8H,1,9H2,2-4H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane?
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane has a molecular weight of 205.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane is sourced from PubChem (CID 142073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).