4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline

C15H24N2 — CID 3817840

IUPAC4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
SMILESC=C(C)CN(CC)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2/c1-6-17(11-13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyXYCFFDHMHMNJLK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.15
Rot. Bonds6

About 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 3817840) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
PubChem CID3817840
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
SMILESC=C(C)CN(CC)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2/c1-6-17(11-13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyXYCFFDHMHMNJLK-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 123716853
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-2-yl]methanol
CID 115879804
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline (CID 3817840) is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline is C=C(C)CN(CC)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is XYCFFDHMHMNJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-17(11-13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10H,2,6,11-12H2,1,3-5H3.
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline?
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3817840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).