4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline

C25H35N3 — CID 123716853

IUPAC4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline
SMILESC=CC(=CCC)CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H35N3/c1-7-9-21(8-2)18-28(19-22-10-14-24(15-11-22)26(3)4)20-23-12-16-25(17-13-23)27(5)6/h8-17H,2,7,18-20H2,1,3-6H3
InChIKeyOZXKCMXRHSKHBW-UHFFFAOYSA-N
MW377.58 g/mol
LogP5.34
Rot. Bonds10

About 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline

4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 123716853) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline
PubChem CID123716853
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline
SMILESC=CC(=CCC)CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H35N3/c1-7-9-21(8-2)18-28(19-22-10-14-24(15-11-22)26(3)4)20-23-12-16-25(17-13-23)27(5)6/h8-17H,2,7,18-20H2,1,3-6H3
InChIKeyOZXKCMXRHSKHBW-UHFFFAOYSA-N
XLogP5.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
CID 11101418
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
ethenol;N,N,4-trimethylaniline
CID 161109749
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
CID 142231722
2-[[4-(dimethylamino)phenyl]methyl]prop-2-enal
CID 118953189
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
CID 24721880

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline (CID 123716853) is 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline is C=CC(=CCC)CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is OZXKCMXRHSKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3/c1-7-9-21(8-2)18-28(19-22-10-14-24(15-11-22)26(3)4)20-23-12-16-25(17-13-23)27(5)6/h8-17H,2,7,18-20H2,1,3-6H3.
What are the key properties of 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline?
4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 377.58 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)phenyl]methyl-(2-ethenylpent-2-enyl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 123716853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).