cyclopropanamine;cyclopropanol

C6H13NO — CID 67718225

IUPACcyclopropanamine;cyclopropanol
SMILESNC1CC1.OC1CC1
InChIInChI=1S/C3H7N.C3H6O/c2*4-3-1-2-3/h3H,1-2,4H2;3-4H,1-2H2
InChIKeyMXHICYCZXALCBH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds

About cyclopropanamine;cyclopropanol

cyclopropanamine;cyclopropanol (PubChem CID 67718225) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cyclopropanamine;cyclopropanol.

Molecular Properties

Compound Namecyclopropanamine;cyclopropanol
PubChem CID67718225
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecyclopropanamine;cyclopropanol
SMILESNC1CC1.OC1CC1
InChIInChI=1S/C3H7N.C3H6O/c2*4-3-1-2-3/h3H,1-2,4H2;3-4H,1-2H2
InChIKeyMXHICYCZXALCBH-UHFFFAOYSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;cyclopropanol?
The IUPAC name of cyclopropanamine;cyclopropanol (CID 67718225) is cyclopropanamine;cyclopropanol.
What is the SMILES notation for cyclopropanamine;cyclopropanol?
The canonical SMILES for cyclopropanamine;cyclopropanol is NC1CC1.OC1CC1.
What is the InChIKey of cyclopropanamine;cyclopropanol?
The InChIKey is MXHICYCZXALCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C3H6O/c2*4-3-1-2-3/h3H,1-2,4H2;3-4H,1-2H2.
What are the key properties of cyclopropanamine;cyclopropanol?
cyclopropanamine;cyclopropanol has a molecular weight of 115.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;cyclopropanol is sourced from PubChem (CID 67718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).