N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline

C13H15N — CID 134837419

IUPACN-methyl-2-prop-2-enyl-N-prop-2-ynylaniline
SMILESC#CCN(C)c1ccccc1CC=C
InChIInChI=1S/C13H15N/c1-4-8-12-9-6-7-10-13(12)14(3)11-5-2/h2,4,6-7,9-10H,1,8,11H2,3H3
InChIKeyIGOGSCAHLCNAIF-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline

N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline (PubChem CID 134837419) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline.

Molecular Properties

Compound NameN-methyl-2-prop-2-enyl-N-prop-2-ynylaniline
PubChem CID134837419
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-methyl-2-prop-2-enyl-N-prop-2-ynylaniline
SMILESC#CCN(C)c1ccccc1CC=C
InChIInChI=1S/C13H15N/c1-4-8-12-9-6-7-10-13(12)14(3)11-5-2/h2,4,6-7,9-10H,1,8,11H2,3H3
InChIKeyIGOGSCAHLCNAIF-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol
CID 142765189
N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 175056682
2-[(E)-hept-2-en-6-ynyl]-N,N-dimethylaniline
CID 100947901
tert-butyl N-cyano-N-(2-prop-2-enylphenyl)carbamate
CID 102140638
1-(ethynoxymethyl)-2-prop-2-enylbenzene
CID 164817819
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-prop-2-enyl-2-propylbenzene
CID 12585186
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
1-methylsulfinyl-2-prop-2-enylbenzene
CID 54185332
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
CID 10660175

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline?
The IUPAC name of N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline (CID 134837419) is N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline.
What is the SMILES notation for N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline?
The canonical SMILES for N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline is C#CCN(C)c1ccccc1CC=C.
What is the InChIKey of N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline?
The InChIKey is IGOGSCAHLCNAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-4-8-12-9-6-7-10-13(12)14(3)11-5-2/h2,4,6-7,9-10H,1,8,11H2,3H3.
What are the key properties of N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline?
N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline has a molecular weight of 185.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline is sourced from PubChem (CID 134837419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).