2-methyl-N,N-bis[(E)-prop-1-enyl]aniline

C13H17N — CID 142925753

IUPAC2-methyl-N,N-bis[(E)-prop-1-enyl]aniline
SMILESC/C=C/N(/C=C/C)c1ccccc1C
InChIInChI=1S/C13H17N/c1-4-10-14(11-5-2)13-9-7-6-8-12(13)3/h4-11H,1-3H3/b10-4+,11-5+
InChIKeyDGMOLJWWUIKMKF-ZVSIBQGLSA-N
MW187.29 g/mol
LogP3.87
Rot. Bonds3

About 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline

2-methyl-N,N-bis[(E)-prop-1-enyl]aniline (PubChem CID 142925753) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Name2-methyl-N,N-bis[(E)-prop-1-enyl]aniline
PubChem CID142925753
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N,N-bis[(E)-prop-1-enyl]aniline
SMILESC/C=C/N(/C=C/C)c1ccccc1C
InChIInChI=1S/C13H17N/c1-4-10-14(11-5-2)13-9-7-6-8-12(13)3/h4-11H,1-3H3/b10-4+,11-5+
InChIKeyDGMOLJWWUIKMKF-ZVSIBQGLSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline?
The IUPAC name of 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline (CID 142925753) is 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline.
What is the SMILES notation for 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline?
The canonical SMILES for 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline is C/C=C/N(/C=C/C)c1ccccc1C.
What is the InChIKey of 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline?
The InChIKey is DGMOLJWWUIKMKF-ZVSIBQGLSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-14(11-5-2)13-9-7-6-8-12(13)3/h4-11H,1-3H3/b10-4+,11-5+.
What are the key properties of 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline?
2-methyl-N,N-bis[(E)-prop-1-enyl]aniline has a molecular weight of 187.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 142925753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).