N-docosyl-N-icosyldocosan-1-amine

C64H131N — CID 23464225

IUPACN-docosyl-N-icosyldocosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H131N/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-65(62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h4-64H2,1-3H3
InChIKeyNYCBBYXLPJZJIH-UHFFFAOYSA-N
MW914.76 g/mol
LogP23.97
Rot. Bonds61

About N-docosyl-N-icosyldocosan-1-amine

N-docosyl-N-icosyldocosan-1-amine (PubChem CID 23464225) has the molecular formula C64H131N and a molecular weight of 914.76 g/mol. Its IUPAC name is N-docosyl-N-icosyldocosan-1-amine.

Molecular Properties

Compound NameN-docosyl-N-icosyldocosan-1-amine
PubChem CID23464225
Molecular FormulaC64H131N
Molecular Weight914.76 g/mol
Exact Mass914.03
IUPAC NameN-docosyl-N-icosyldocosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H131N/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-65(62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h4-64H2,1-3H3
InChIKeyNYCBBYXLPJZJIH-UHFFFAOYSA-N
XLogP23.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds61
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.76
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-docosyl-N-icosyldocosan-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

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162

Frequently Asked Questions

What is the IUPAC name of N-docosyl-N-icosyldocosan-1-amine?
The IUPAC name of N-docosyl-N-icosyldocosan-1-amine (CID 23464225) is N-docosyl-N-icosyldocosan-1-amine.
What is the SMILES notation for N-docosyl-N-icosyldocosan-1-amine?
The canonical SMILES for N-docosyl-N-icosyldocosan-1-amine is CCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-docosyl-N-icosyldocosan-1-amine?
The InChIKey is NYCBBYXLPJZJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H131N/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-65(62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h4-64H2,1-3H3.
What are the key properties of N-docosyl-N-icosyldocosan-1-amine?
N-docosyl-N-icosyldocosan-1-amine has a molecular weight of 914.76 g/mol, XLogP of 23.97, 61 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-docosyl-N-icosyldocosan-1-amine is sourced from PubChem (CID 23464225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).