N-(2-morpholin-4-ylethyl)pentadecan-8-amine

C21H44N2O — CID 129082751

IUPACN-(2-morpholin-4-ylethyl)pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)NCCN1CCOCC1
InChIInChI=1S/C21H44N2O/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)22-15-16-23-17-19-24-20-18-23/h21-22H,3-20H2,1-2H3
InChIKeyKPDATXCOJGDWNI-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.00
Rot. Bonds16

About N-(2-morpholin-4-ylethyl)pentadecan-8-amine

N-(2-morpholin-4-ylethyl)pentadecan-8-amine (PubChem CID 129082751) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)pentadecan-8-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)pentadecan-8-amine
PubChem CID129082751
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC NameN-(2-morpholin-4-ylethyl)pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)NCCN1CCOCC1
InChIInChI=1S/C21H44N2O/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)22-15-16-23-17-19-24-20-18-23/h21-22H,3-20H2,1-2H3
InChIKeyKPDATXCOJGDWNI-UHFFFAOYSA-N
XLogP5.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)pentadecan-8-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)pentadecan-8-amine (CID 129082751) is N-(2-morpholin-4-ylethyl)pentadecan-8-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)pentadecan-8-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)pentadecan-8-amine is CCCCCCCC(CCCCCCC)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)pentadecan-8-amine?
The InChIKey is KPDATXCOJGDWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)22-15-16-23-17-19-24-20-18-23/h21-22H,3-20H2,1-2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)pentadecan-8-amine?
N-(2-morpholin-4-ylethyl)pentadecan-8-amine has a molecular weight of 340.60 g/mol, XLogP of 5.00, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)pentadecan-8-amine is sourced from PubChem (CID 129082751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).