N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C21H38N2O — CID 159053593

IUPACN'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCCCCCCCCCNCC(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C21H38N2O/c1-5-6-7-8-9-10-11-12-17-22-18-21(23(2)3)19-13-15-20(24-4)16-14-19/h13-16,21-22H,5-12,17-18H2,1-4H3
InChIKeyYGPIBBWYGIGPQK-UHFFFAOYSA-N
MW334.55 g/mol
LogP5.03
Rot. Bonds14

About N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 159053593) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID159053593
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC NameN'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCCCCCCCCCNCC(c1ccc(OC)cc1)N(C)C
InChIInChI=1S/C21H38N2O/c1-5-6-7-8-9-10-11-12-17-22-18-21(23(2)3)19-13-15-20(24-4)16-14-19/h13-16,21-22H,5-12,17-18H2,1-4H3
InChIKeyYGPIBBWYGIGPQK-UHFFFAOYSA-N
XLogP5.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine 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

N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62108346
1-butyl-2-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]guanidine
CID 95329279
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
3-butyl-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 97027616

Frequently Asked Questions

What is the IUPAC name of N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 159053593) is N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is CCCCCCCCCCNCC(c1ccc(OC)cc1)N(C)C.
What is the InChIKey of N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is YGPIBBWYGIGPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-5-6-7-8-9-10-11-12-17-22-18-21(23(2)3)19-13-15-20(24-4)16-14-19/h13-16,21-22H,5-12,17-18H2,1-4H3.
What are the key properties of N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 334.55 g/mol, XLogP of 5.03, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 159053593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).