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'}

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Related Compounds

4-[bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64826984
5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64788989
6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 81065078
1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentan-1-ol
CID 64797008
3-ethoxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64802622
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828150
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826351
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860

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).