1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol

C9H19NO2 — CID 62774128

IUPAC1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CC1
InChIInChI=1S/C9H19NO2/c1-9(11,5-6-12-2)7-10-8-3-4-8/h8,10-11H,3-7H2,1-2H3
InChIKeyCKIBWOQIXSVUCY-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds6

About 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol

1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 62774128) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID62774128
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1CC1
InChIInChI=1S/C9H19NO2/c1-9(11,5-6-12-2)7-10-8-3-4-8/h8,10-11H,3-7H2,1-2H3
InChIKeyCKIBWOQIXSVUCY-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol (CID 62774128) is 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is CKIBWOQIXSVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(11,5-6-12-2)7-10-8-3-4-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol?
1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 62774128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).