2-amino-2-cyclopropylbutan-1-ol

C7H15NO — CID 64919158

IUPAC2-amino-2-cyclopropylbutan-1-ol
SMILESCCC(N)(CO)C1CC1
InChIInChI=1S/C7H15NO/c1-2-7(8,5-9)6-3-4-6/h6,9H,2-5,8H2,1H3
InChIKeyIIKVGSPJONPNOQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds3

About 2-amino-2-cyclopropylbutan-1-ol

2-amino-2-cyclopropylbutan-1-ol (PubChem CID 64919158) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-amino-2-cyclopropylbutan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropylbutan-1-ol
PubChem CID64919158
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-amino-2-cyclopropylbutan-1-ol
SMILESCCC(N)(CO)C1CC1
InChIInChI=1S/C7H15NO/c1-2-7(8,5-9)6-3-4-6/h6,9H,2-5,8H2,1H3
InChIKeyIIKVGSPJONPNOQ-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropylbutan-1-ol?
The IUPAC name of 2-amino-2-cyclopropylbutan-1-ol (CID 64919158) is 2-amino-2-cyclopropylbutan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropylbutan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropylbutan-1-ol is CCC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylbutan-1-ol?
The InChIKey is IIKVGSPJONPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-7(8,5-9)6-3-4-6/h6,9H,2-5,8H2,1H3.
What are the key properties of 2-amino-2-cyclopropylbutan-1-ol?
2-amino-2-cyclopropylbutan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylbutan-1-ol is sourced from PubChem (CID 64919158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).