N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine

C24H49N3 — CID 168819904

IUPACN-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine
SMILESCCCCCCCCCCCCCCCCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C24H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-22-21-26(5)23(27)25-24(2,3)4/h6-22H2,1-5H3/b25-23-
InChIKeyWDJLEBFRUPRHGM-BZZOAKBMSA-N
MW379.68 g/mol
LogP6.87
Rot. Bonds15

About N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine

N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine (PubChem CID 168819904) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine
PubChem CID168819904
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC NameN-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine
SMILESCCCCCCCCCCCCCCCCN1CCN(C)/C1=N/C(C)(C)C
InChIInChI=1S/C24H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-22-21-26(5)23(27)25-24(2,3)4/h6-22H2,1-5H3/b25-23-
InChIKeyWDJLEBFRUPRHGM-BZZOAKBMSA-N
XLogP6.87
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine?
The IUPAC name of N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine (CID 168819904) is N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine.
What is the SMILES notation for N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine?
The canonical SMILES for N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine is CCCCCCCCCCCCCCCCN1CCN(C)/C1=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine?
The InChIKey is WDJLEBFRUPRHGM-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-22-21-26(5)23(27)25-24(2,3)4/h6-22H2,1-5H3/b25-23-.
What are the key properties of N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine?
N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine has a molecular weight of 379.68 g/mol, XLogP of 6.87, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine is sourced from PubChem (CID 168819904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).