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

C12H18N2 — CID 115111096

IUPAC5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
SMILESCc1ccc(/C=C/CN)cc1N(C)C
InChIInChI=1S/C12H18N2/c1-10-6-7-11(5-4-8-13)9-12(10)14(2)3/h4-7,9H,8,13H2,1-3H3/b5-4+
InChIKeyDMQMBZOXBVAYHA-SNAWJCMRSA-N
MW190.29 g/mol
LogP2.03
Rot. Bonds3

About 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline

5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline (PubChem CID 115111096) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
PubChem CID115111096
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline
SMILESCc1ccc(/C=C/CN)cc1N(C)C
InChIInChI=1S/C12H18N2/c1-10-6-7-11(5-4-8-13)9-12(10)14(2)3/h4-7,9H,8,13H2,1-3H3/b5-4+
InChIKeyDMQMBZOXBVAYHA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline (CID 115111096) is 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline is Cc1ccc(/C=C/CN)cc1N(C)C.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline?
The InChIKey is DMQMBZOXBVAYHA-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-6-7-11(5-4-8-13)9-12(10)14(2)3/h4-7,9H,8,13H2,1-3H3/b5-4+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline?
5-[(E)-3-aminoprop-1-enyl]-N,N,2-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 5-[(E)-3-aminoprop-1-enyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 115111096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).