N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine

C24H49NO — CID 146556757

IUPACN-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)N(CC)CCC1COC(C)C1
InChIInChI=1S/C24H49NO/c1-5-8-10-12-14-16-24(17-15-13-11-9-6-2)25(7-3)19-18-23-20-22(4)26-21-23/h22-24H,5-21H2,1-4H3
InChIKeyLCLLYEMQTVEILD-UHFFFAOYSA-N
MW367.66 g/mol
LogP7.21
Rot. Bonds17

About N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine

N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine (PubChem CID 146556757) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine
PubChem CID146556757
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC NameN-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine
SMILESCCCCCCCC(CCCCCCC)N(CC)CCC1COC(C)C1
InChIInChI=1S/C24H49NO/c1-5-8-10-12-14-16-24(17-15-13-11-9-6-2)25(7-3)19-18-23-20-22(4)26-21-23/h22-24H,5-21H2,1-4H3
InChIKeyLCLLYEMQTVEILD-UHFFFAOYSA-N
XLogP7.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]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-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine?
The IUPAC name of N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine (CID 146556757) is N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine.
What is the SMILES notation for N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine?
The canonical SMILES for N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine is CCCCCCCC(CCCCCCC)N(CC)CCC1COC(C)C1.
What is the InChIKey of N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine?
The InChIKey is LCLLYEMQTVEILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-5-8-10-12-14-16-24(17-15-13-11-9-6-2)25(7-3)19-18-23-20-22(4)26-21-23/h22-24H,5-21H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine?
N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine has a molecular weight of 367.66 g/mol, XLogP of 7.21, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine is sourced from PubChem (CID 146556757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).