2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C14H30N2O2 — CID 106618102

IUPAC2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(C)CCOCCN(CCO)CC1CCCN1
InChIInChI=1S/C14H30N2O2/c1-13(2)5-10-18-11-8-16(7-9-17)12-14-4-3-6-15-14/h13-15,17H,3-12H2,1-2H3
InChIKeyRRAJNAOSHPCJSS-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.10
Rot. Bonds10

About 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618102) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618102
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCC(C)CCOCCN(CCO)CC1CCCN1
InChIInChI=1S/C14H30N2O2/c1-13(2)5-10-18-11-8-16(7-9-17)12-14-4-3-6-15-14/h13-15,17H,3-12H2,1-2H3
InChIKeyRRAJNAOSHPCJSS-UHFFFAOYSA-N
XLogP1.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.10
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 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618102) is 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is CC(C)CCOCCN(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is RRAJNAOSHPCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)5-10-18-11-8-16(7-9-17)12-14-4-3-6-15-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 258.41 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).