4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline

C18H30N2O — CID 2835281

IUPAC4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2)13-15(10-12-21-18)9-11-19-14-16-5-7-17(8-6-16)20(3)4/h5-8,15,19H,9-14H2,1-4H3
InChIKeyLYNJWUUDXAXRLP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds6

About 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline

4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 2835281) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline
PubChem CID2835281
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2)13-15(10-12-21-18)9-11-19-14-16-5-7-17(8-6-16)20(3)4/h5-8,15,19H,9-14H2,1-4H3
InChIKeyLYNJWUUDXAXRLP-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholinobenzylamine
CID 2776458
N,N-dimethyl-4-[[2-(4-phenyl-2-propan-2-yloxan-4-yl)ethylamino]methyl]aniline
CID 2946332
Dimethyl-(4-{[(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenyl)-amine hydrochloride
CID 2960152
N,N-dimethyl-4-[[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethylamino]methyl]aniline
CID 2965336
4-(((2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-N,N-dimethylaniline
CID 3561082
Icmt-IN-7
CID 53388523
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]aniline
CID 53387230
Icmt-IN-39
CID 53387232
Icmt-IN-40
CID 53387388
Icmt-IN-41
CID 53387389
Icmt-IN-42
CID 53387390
Icmt-IN-43
CID 53387391

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline (CID 2835281) is 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCCC2CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline?
The InChIKey is LYNJWUUDXAXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2)13-15(10-12-21-18)9-11-19-14-16-5-7-17(8-6-16)20(3)4/h5-8,15,19H,9-14H2,1-4H3.
What are the key properties of 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline?
4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 290.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-dimethyloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2835281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).