1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol

C12H25NO2 — CID 63294769

IUPAC1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol
SMILESCOC(C)(C)CC(C)NCC(O)C1CC1
InChIInChI=1S/C12H25NO2/c1-9(7-12(2,3)15-4)13-8-11(14)10-5-6-10/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWOYWHWCSUQCETO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol

1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol (PubChem CID 63294769) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol
PubChem CID63294769
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol
SMILESCOC(C)(C)CC(C)NCC(O)C1CC1
InChIInChI=1S/C12H25NO2/c1-9(7-12(2,3)15-4)13-8-11(14)10-5-6-10/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWOYWHWCSUQCETO-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol (CID 63294769) is 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol is COC(C)(C)CC(C)NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol?
The InChIKey is WOYWHWCSUQCETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(7-12(2,3)15-4)13-8-11(14)10-5-6-10/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol?
1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanol is sourced from PubChem (CID 63294769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).