N-(2-undecoxyethyl)pentan-1-amine

C18H39NO — CID 22091506

IUPACN-(2-undecoxyethyl)pentan-1-amine
SMILESCCCCCCCCCCCOCCNCCCCC
InChIInChI=1S/C18H39NO/c1-3-5-7-8-9-10-11-12-14-17-20-18-16-19-15-13-6-4-2/h19H,3-18H2,1-2H3
InChIKeyVLYLGZGIRWVCJJ-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds17

About N-(2-undecoxyethyl)pentan-1-amine

N-(2-undecoxyethyl)pentan-1-amine (PubChem CID 22091506) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-(2-undecoxyethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)pentan-1-amine
PubChem CID22091506
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-(2-undecoxyethyl)pentan-1-amine
SMILESCCCCCCCCCCCOCCNCCCCC
InChIInChI=1S/C18H39NO/c1-3-5-7-8-9-10-11-12-14-17-20-18-16-19-15-13-6-4-2/h19H,3-18H2,1-2H3
InChIKeyVLYLGZGIRWVCJJ-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-undecoxyethyl)pentan-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-(2-undecoxyethyl)pentan-1-amine?
The IUPAC name of N-(2-undecoxyethyl)pentan-1-amine (CID 22091506) is N-(2-undecoxyethyl)pentan-1-amine.
What is the SMILES notation for N-(2-undecoxyethyl)pentan-1-amine?
The canonical SMILES for N-(2-undecoxyethyl)pentan-1-amine is CCCCCCCCCCCOCCNCCCCC.
What is the InChIKey of N-(2-undecoxyethyl)pentan-1-amine?
The InChIKey is VLYLGZGIRWVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-3-5-7-8-9-10-11-12-14-17-20-18-16-19-15-13-6-4-2/h19H,3-18H2,1-2H3.
What are the key properties of N-(2-undecoxyethyl)pentan-1-amine?
N-(2-undecoxyethyl)pentan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)pentan-1-amine is sourced from PubChem (CID 22091506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).