2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline

C12H18N2 — CID 117282062

IUPAC2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline
SMILESCc1ccc(N(C)C)c(/C=C/CN)c1
InChIInChI=1S/C12H18N2/c1-10-6-7-12(14(2)3)11(9-10)5-4-8-13/h4-7,9H,8,13H2,1-3H3/b5-4+
InChIKeyOJSAMIFXLULCIM-SNAWJCMRSA-N
MW190.29 g/mol
LogP2.03
Rot. Bonds3

About 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline

2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline (PubChem CID 117282062) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline
PubChem CID117282062
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline
SMILESCc1ccc(N(C)C)c(/C=C/CN)c1
InChIInChI=1S/C12H18N2/c1-10-6-7-12(14(2)3)11(9-10)5-4-8-13/h4-7,9H,8,13H2,1-3H3/b5-4+
InChIKeyOJSAMIFXLULCIM-SNAWJCMRSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
CID 115111096
5-[(E)-3-aminoprop-1-enyl]-2-chloro-N,N-dimethylaniline
CID 115111097
2-amino-1-[2-(dimethylamino)-5-methylphenyl]ethanone
CID 117283238
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
CID 115111094
2-chloro-N,N,4-trimethylaniline
CID 4099980
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
CID 131237474
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
2-(4-aminobut-1-enyl)-4-methylbenzonitrile
CID 170486986

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline (CID 117282062) is 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline is Cc1ccc(N(C)C)c(/C=C/CN)c1.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline?
The InChIKey is OJSAMIFXLULCIM-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-6-7-12(14(2)3)11(9-10)5-4-8-13/h4-7,9H,8,13H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline?
2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-N,N,4-trimethylaniline is sourced from PubChem (CID 117282062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).