1-(cyclopropylamino)-3,3-dimethylbutan-2-ol

C9H19NO — CID 62773739

IUPAC1-(cyclopropylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNC1CC1
InChIInChI=1S/C9H19NO/c1-9(2,3)8(11)6-10-7-4-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWBYHBNSUFOOVLX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

About 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol

1-(cyclopropylamino)-3,3-dimethylbutan-2-ol (PubChem CID 62773739) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3,3-dimethylbutan-2-ol
PubChem CID62773739
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(cyclopropylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNC1CC1
InChIInChI=1S/C9H19NO/c1-9(2,3)8(11)6-10-7-4-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWBYHBNSUFOOVLX-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol (CID 62773739) is 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol?
The InChIKey is WBYHBNSUFOOVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8(11)6-10-7-4-5-7/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol?
1-(cyclopropylamino)-3,3-dimethylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62773739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).