N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine

C22H47NO — CID 167268905

IUPACN-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine
SMILESCOCCCNCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C22H47NO/c1-22(2,3)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23-20-17-21-24-4/h23H,5-21H2,1-4H3
InChIKeyUPCLGNFEYCRJRT-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.73
Rot. Bonds18

About N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine

N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine (PubChem CID 167268905) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine
PubChem CID167268905
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC NameN-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine
SMILESCOCCCNCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C22H47NO/c1-22(2,3)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23-20-17-21-24-4/h23H,5-21H2,1-4H3
InChIKeyUPCLGNFEYCRJRT-UHFFFAOYSA-N
XLogP6.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-15,15-dimethylhexadecan-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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine (CID 167268905) is N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine is COCCCNCCCCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine?
The InChIKey is UPCLGNFEYCRJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-22(2,3)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23-20-17-21-24-4/h23H,5-21H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine?
N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine has a molecular weight of 341.62 g/mol, XLogP of 6.73, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-15,15-dimethylhexadecan-1-amine is sourced from PubChem (CID 167268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).