4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline

C14H22N2 — CID 105163820

IUPAC4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline
SMILESC=C(C)C(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-6-15-14(11(2)3)12-7-9-13(10-8-12)16(4)5/h7-10,14-15H,2,6H2,1,3-5H3
InChIKeyCZUJMSJSAXRZNO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.98
Rot. Bonds5

About 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline

4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline (PubChem CID 105163820) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline
PubChem CID105163820
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline
SMILESC=C(C)C(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-6-15-14(11(2)3)12-7-9-13(10-8-12)16(4)5/h7-10,14-15H,2,6H2,1,3-5H3
InChIKeyCZUJMSJSAXRZNO-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline (CID 105163820) is 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline is C=C(C)C(NCC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline?
The InChIKey is CZUJMSJSAXRZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-15-14(11(2)3)12-7-9-13(10-8-12)16(4)5/h7-10,14-15H,2,6H2,1,3-5H3.
What are the key properties of 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline?
4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 105163820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).