N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine

C24H44N2O3 — CID 150040596

IUPACN'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine
SMILESCCCCCCCCC(CCc1ccccc1)(CNCCN)C(OC)(OC)OC
InChIInChI=1S/C24H44N2O3/c1-5-6-7-8-9-13-17-23(21-26-20-19-25,24(27-2,28-3)29-4)18-16-22-14-11-10-12-15-22/h10-12,14-15,26H,5-9,13,16-21,25H2,1-4H3
InChIKeyDJEUPJAFPFEAQG-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.50
Rot. Bonds18

About N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine

N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine (PubChem CID 150040596) has the molecular formula C24H44N2O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine
PubChem CID150040596
Molecular FormulaC24H44N2O3
Molecular Weight408.63 g/mol
Exact Mass408.34
IUPAC NameN'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine
SMILESCCCCCCCCC(CCc1ccccc1)(CNCCN)C(OC)(OC)OC
InChIInChI=1S/C24H44N2O3/c1-5-6-7-8-9-13-17-23(21-26-20-19-25,24(27-2,28-3)29-4)18-16-22-14-11-10-12-15-22/h10-12,14-15,26H,5-9,13,16-21,25H2,1-4H3
InChIKeyDJEUPJAFPFEAQG-UHFFFAOYSA-N
XLogP4.50
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-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

3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909
3,3-dimethyltetradecylbenzene
CID 141108755
butan-1-amine;dodecylbenzene
CID 158824240
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(2-phenylethyl)undecan-1-amine
CID 141108004
3-methyl-1-phenylheptan-3-amine
CID 121493813
octacosylbenzene
CID 14228596
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine (CID 150040596) is N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine is CCCCCCCCC(CCc1ccccc1)(CNCCN)C(OC)(OC)OC.
What is the InChIKey of N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine?
The InChIKey is DJEUPJAFPFEAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3/c1-5-6-7-8-9-13-17-23(21-26-20-19-25,24(27-2,28-3)29-4)18-16-22-14-11-10-12-15-22/h10-12,14-15,26H,5-9,13,16-21,25H2,1-4H3.
What are the key properties of N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine?
N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine has a molecular weight of 408.63 g/mol, XLogP of 4.50, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine is sourced from PubChem (CID 150040596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).