4-amino-4-cyclopropyl-2-methylbutan-2-ol

C8H17NO — CID 59543127

IUPAC4-amino-4-cyclopropyl-2-methylbutan-2-ol
SMILESCC(C)(O)CC(N)C1CC1
InChIInChI=1S/C8H17NO/c1-8(2,10)5-7(9)6-3-4-6/h6-7,10H,3-5,9H2,1-2H3
InChIKeyINUIOPVJLWELBE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds3

About 4-amino-4-cyclopropyl-2-methylbutan-2-ol

4-amino-4-cyclopropyl-2-methylbutan-2-ol (PubChem CID 59543127) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-amino-4-cyclopropyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-cyclopropyl-2-methylbutan-2-ol
PubChem CID59543127
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-amino-4-cyclopropyl-2-methylbutan-2-ol
SMILESCC(C)(O)CC(N)C1CC1
InChIInChI=1S/C8H17NO/c1-8(2,10)5-7(9)6-3-4-6/h6-7,10H,3-5,9H2,1-2H3
InChIKeyINUIOPVJLWELBE-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyclopropyl-2-methylbutan-2-ol?
The IUPAC name of 4-amino-4-cyclopropyl-2-methylbutan-2-ol (CID 59543127) is 4-amino-4-cyclopropyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-4-cyclopropyl-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-4-cyclopropyl-2-methylbutan-2-ol is CC(C)(O)CC(N)C1CC1.
What is the InChIKey of 4-amino-4-cyclopropyl-2-methylbutan-2-ol?
The InChIKey is INUIOPVJLWELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,10)5-7(9)6-3-4-6/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 4-amino-4-cyclopropyl-2-methylbutan-2-ol?
4-amino-4-cyclopropyl-2-methylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyclopropyl-2-methylbutan-2-ol is sourced from PubChem (CID 59543127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).