N-(3-morpholin-4-ylpropyl)pentadecan-8-amine

C22H46N2O — CID 139373435

IUPACN-(3-morpholin-4-ylpropyl)pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)NCCCN1CCOCC1
InChIInChI=1S/C22H46N2O/c1-3-5-7-9-11-14-22(15-12-10-8-6-4-2)23-16-13-17-24-18-20-25-21-19-24/h22-23H,3-21H2,1-2H3
InChIKeyBEFMRLBGGIXOQV-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.39
Rot. Bonds17

About N-(3-morpholin-4-ylpropyl)pentadecan-8-amine

N-(3-morpholin-4-ylpropyl)pentadecan-8-amine (PubChem CID 139373435) has the molecular formula C22H46N2O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pentadecan-8-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pentadecan-8-amine
PubChem CID139373435
Molecular FormulaC22H46N2O
Molecular Weight354.62 g/mol
Exact Mass354.36
IUPAC NameN-(3-morpholin-4-ylpropyl)pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)NCCCN1CCOCC1
InChIInChI=1S/C22H46N2O/c1-3-5-7-9-11-14-22(15-12-10-8-6-4-2)23-16-13-17-24-18-20-25-21-19-24/h22-23H,3-21H2,1-2H3
InChIKeyBEFMRLBGGIXOQV-UHFFFAOYSA-N
XLogP5.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)pentadecan-8-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-morpholin-4-ylpropyl)pentadecan-8-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pentadecan-8-amine (CID 139373435) is N-(3-morpholin-4-ylpropyl)pentadecan-8-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pentadecan-8-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pentadecan-8-amine is CCCCCCCC(CCCCCCC)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pentadecan-8-amine?
The InChIKey is BEFMRLBGGIXOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O/c1-3-5-7-9-11-14-22(15-12-10-8-6-4-2)23-16-13-17-24-18-20-25-21-19-24/h22-23H,3-21H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)pentadecan-8-amine?
N-(3-morpholin-4-ylpropyl)pentadecan-8-amine has a molecular weight of 354.62 g/mol, XLogP of 5.39, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pentadecan-8-amine is sourced from PubChem (CID 139373435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).