N-(2-morpholin-4-ylethyl)tridecan-6-amine

C19H40N2O — CID 155282382

IUPACN-(2-morpholin-4-ylethyl)tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCCN1CCOCC1
InChIInChI=1S/C19H40N2O/c1-3-5-7-8-10-12-19(11-9-6-4-2)20-13-14-21-15-17-22-18-16-21/h19-20H,3-18H2,1-2H3
InChIKeyPXIBIQZBVWZZLH-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.22
Rot. Bonds14

About N-(2-morpholin-4-ylethyl)tridecan-6-amine

N-(2-morpholin-4-ylethyl)tridecan-6-amine (PubChem CID 155282382) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)tridecan-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)tridecan-6-amine
PubChem CID155282382
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC NameN-(2-morpholin-4-ylethyl)tridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCCN1CCOCC1
InChIInChI=1S/C19H40N2O/c1-3-5-7-8-10-12-19(11-9-6-4-2)20-13-14-21-15-17-22-18-16-21/h19-20H,3-18H2,1-2H3
InChIKeyPXIBIQZBVWZZLH-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)tridecan-6-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-(2-morpholin-4-ylethyl)tridecan-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)tridecan-6-amine (CID 155282382) is N-(2-morpholin-4-ylethyl)tridecan-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)tridecan-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)tridecan-6-amine is CCCCCCCC(CCCCC)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)tridecan-6-amine?
The InChIKey is PXIBIQZBVWZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-3-5-7-8-10-12-19(11-9-6-4-2)20-13-14-21-15-17-22-18-16-21/h19-20H,3-18H2,1-2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)tridecan-6-amine?
N-(2-morpholin-4-ylethyl)tridecan-6-amine has a molecular weight of 312.54 g/mol, XLogP of 4.22, 14 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)tridecan-6-amine is sourced from PubChem (CID 155282382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).