N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine

C37H77NO2 — CID 118244376

IUPACN-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN(C)CCCOCCOC
InChIInChI=1S/C37H77NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-37(36-38(3)32-29-33-40-35-34-39-4)31-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3
InChIKeyWGHVASZSTVDZOP-UHFFFAOYSA-N
MW568.03 g/mol
LogP11.77
Rot. Bonds35

About N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine

N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine (PubChem CID 118244376) has the molecular formula C37H77NO2 and a molecular weight of 568.03 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine
PubChem CID118244376
Molecular FormulaC37H77NO2
Molecular Weight568.03 g/mol
Exact Mass567.60
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN(C)CCCOCCOC
InChIInChI=1S/C37H77NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-37(36-38(3)32-29-33-40-35-34-39-4)31-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3
InChIKeyWGHVASZSTVDZOP-UHFFFAOYSA-N
XLogP11.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.03
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine 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

11-Octyl-1,4,7-trioxa-11-azacyclotetradecane
CID 102329725
3-[(6-Ethyl-8-methyltridecyl)-dimethylazaniumyl]propyl sulfite
CID 58637928
N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 59483294
N-(3-butoxypropyl)-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 90206596
N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 90206597
N-[3-[2-[2-[3-[bis(2-ethylhexyl)amino]propoxy]ethoxy]ethoxy]propyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 90206598
N-(3,7-dimethyloctyl)-N-(1-methoxyethyl)-3,7-dimethyloctan-1-amine
CID 117617443
13-(10-Methyldodecyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 117982336
N-[2-(2-methoxyethoxy)ethyl]-N-methyl-3-octadecylhenicosan-1-amine
CID 118244306
2-icosyl-N-[3-(2-methoxyethoxy)propyl]-N-methyldocosan-1-amine
CID 118244309
2-icosyl-N-[3-(2-methoxyethoxy)propyl]docosan-1-amine
CID 118244314
N-[3-(2-methoxyethoxy)propyl]-2-tetradecylhexadecan-1-amine
CID 118244368

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine (CID 118244376) is N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN(C)CCCOCCOC.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine?
The InChIKey is WGHVASZSTVDZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-37(36-38(3)32-29-33-40-35-34-39-4)31-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine has a molecular weight of 568.03 g/mol, XLogP of 11.77, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-N-methyl-2-tetradecylhexadecan-1-amine is sourced from PubChem (CID 118244376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).