1-amino-2-cyclopropylpropan-2-ol

C6H13NO — CID 21109692

IUPAC1-amino-2-cyclopropylpropan-2-ol
SMILESCC(O)(CN)C1CC1
InChIInChI=1S/C6H13NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-4,7H2,1H3
InChIKeyPSDJRLLXPKWQLH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds2

About 1-amino-2-cyclopropylpropan-2-ol

1-amino-2-cyclopropylpropan-2-ol (PubChem CID 21109692) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-amino-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropylpropan-2-ol
PubChem CID21109692
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-amino-2-cyclopropylpropan-2-ol
SMILESCC(O)(CN)C1CC1
InChIInChI=1S/C6H13NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-4,7H2,1H3
InChIKeyPSDJRLLXPKWQLH-UHFFFAOYSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-amino-2-cyclopropylpropan-2-ol (CID 21109692) is 1-amino-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropylpropan-2-ol is CC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropylpropan-2-ol?
The InChIKey is PSDJRLLXPKWQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-4,7H2,1H3.
What are the key properties of 1-amino-2-cyclopropylpropan-2-ol?
1-amino-2-cyclopropylpropan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 21109692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).