2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

C15H31NO — CID 65165709

IUPAC2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CCC1CCCO1
InChIInChI=1S/C15H31NO/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyHFAIBFXDAJICCU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65165709) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65165709
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CCC1CCCO1
InChIInChI=1S/C15H31NO/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyHFAIBFXDAJICCU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-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 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65165709) is 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNCC(CC)(CC)CCC1CCCO1.
What is the InChIKey of 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is HFAIBFXDAJICCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3.
What are the key properties of 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65165709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).