N-(3-morpholin-4-ylpropyl)tridecan-6-amine

C20H42N2O — CID 155282385

IUPACN-(3-morpholin-4-ylpropyl)tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCCCN1CCOCC1
InChIInChI=1S/C20H42N2O/c1-3-5-7-8-10-13-20(12-9-6-4-2)21-14-11-15-22-16-18-23-19-17-22/h20-21H,3-19H2,1-2H3
InChIKeyNWQXNLGZGIYVLX-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.61
Rot. Bonds15

About N-(3-morpholin-4-ylpropyl)tridecan-6-amine

N-(3-morpholin-4-ylpropyl)tridecan-6-amine (PubChem CID 155282385) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)tridecan-6-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)tridecan-6-amine
PubChem CID155282385
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC NameN-(3-morpholin-4-ylpropyl)tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCCCN1CCOCC1
InChIInChI=1S/C20H42N2O/c1-3-5-7-8-10-13-20(12-9-6-4-2)21-14-11-15-22-16-18-23-19-17-22/h20-21H,3-19H2,1-2H3
InChIKeyNWQXNLGZGIYVLX-UHFFFAOYSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.61
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-(3-morpholin-4-ylpropyl)tridecan-6-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)tridecan-6-amine (CID 155282385) is N-(3-morpholin-4-ylpropyl)tridecan-6-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)tridecan-6-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)tridecan-6-amine is CCCCCCCC(CCCCC)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)tridecan-6-amine?
The InChIKey is NWQXNLGZGIYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-3-5-7-8-10-13-20(12-9-6-4-2)21-14-11-15-22-16-18-23-19-17-22/h20-21H,3-19H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)tridecan-6-amine?
N-(3-morpholin-4-ylpropyl)tridecan-6-amine has a molecular weight of 326.57 g/mol, XLogP of 4.61, 15 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)tridecan-6-amine is sourced from PubChem (CID 155282385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).