4-(4-aminobut-1-enyl)-2,6-dimethylaniline

C12H18N2 — CID 170486974

IUPAC4-(4-aminobut-1-enyl)-2,6-dimethylaniline
SMILESCc1cc(C=CCCN)cc(C)c1N
InChIInChI=1S/C12H18N2/c1-9-7-11(5-3-4-6-13)8-10(2)12(9)14/h3,5,7-8H,4,6,13-14H2,1-2H3
InChIKeyJQGHFKGWKKYHMJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.25
Rot. Bonds3

About 4-(4-aminobut-1-enyl)-2,6-dimethylaniline

4-(4-aminobut-1-enyl)-2,6-dimethylaniline (PubChem CID 170486974) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)-2,6-dimethylaniline
PubChem CID170486974
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(4-aminobut-1-enyl)-2,6-dimethylaniline
SMILESCc1cc(C=CCCN)cc(C)c1N
InChIInChI=1S/C12H18N2/c1-9-7-11(5-3-4-6-13)8-10(2)12(9)14/h3,5,7-8H,4,6,13-14H2,1-2H3
InChIKeyJQGHFKGWKKYHMJ-UHFFFAOYSA-N
XLogP2.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobut-1-enyl)-2,6-dimethylaniline?
The IUPAC name of 4-(4-aminobut-1-enyl)-2,6-dimethylaniline (CID 170486974) is 4-(4-aminobut-1-enyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-(4-aminobut-1-enyl)-2,6-dimethylaniline?
The canonical SMILES for 4-(4-aminobut-1-enyl)-2,6-dimethylaniline is Cc1cc(C=CCCN)cc(C)c1N.
What is the InChIKey of 4-(4-aminobut-1-enyl)-2,6-dimethylaniline?
The InChIKey is JQGHFKGWKKYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-11(5-3-4-6-13)8-10(2)12(9)14/h3,5,7-8H,4,6,13-14H2,1-2H3.
What are the key properties of 4-(4-aminobut-1-enyl)-2,6-dimethylaniline?
4-(4-aminobut-1-enyl)-2,6-dimethylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)-2,6-dimethylaniline is sourced from PubChem (CID 170486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).