5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol

C14H32N2O2 — CID 64788989

IUPAC5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN(CC)CCOCC
InChIInChI=1S/C14H32N2O2/c1-5-15-14(4,13-17)9-8-10-16(6-2)11-12-18-7-3/h15,17H,5-13H2,1-4H3
InChIKeyPJMZLDQYXLNCIU-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.49
Rot. Bonds12

About 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol

5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64788989) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64788989
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN(CC)CCOCC
InChIInChI=1S/C14H32N2O2/c1-5-15-14(4,13-17)9-8-10-16(6-2)11-12-18-7-3/h15,17H,5-13H2,1-4H3
InChIKeyPJMZLDQYXLNCIU-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol (CID 64788989) is 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCN(CC)CCOCC.
What is the InChIKey of 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is PJMZLDQYXLNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-5-15-14(4,13-17)9-8-10-16(6-2)11-12-18-7-3/h15,17H,5-13H2,1-4H3.
What are the key properties of 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol?
5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 1.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64788989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).