4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol

C16H36N2O3 — CID 82944529

IUPAC4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O3/c1-6-17-16(5,14-19)13-15(4)18(9-11-20-7-2)10-12-21-8-3/h15,17,19H,6-14H2,1-5H3
InChIKeyRSDIHLDOCYKMIB-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.50
Rot. Bonds14

About 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol

4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 82944529) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID82944529
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Name4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O3/c1-6-17-16(5,14-19)13-15(4)18(9-11-20-7-2)10-12-21-8-3/h15,17,19H,6-14H2,1-5H3
InChIKeyRSDIHLDOCYKMIB-UHFFFAOYSA-N
XLogP1.50
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol 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 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol (CID 82944529) is 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)N(CCOCC)CCOCC.
What is the InChIKey of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is RSDIHLDOCYKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O3/c1-6-17-16(5,14-19)13-15(4)18(9-11-20-7-2)10-12-21-8-3/h15,17,19H,6-14H2,1-5H3.
What are the key properties of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 304.48 g/mol, XLogP of 1.50, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 82944529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).