3-(cyclopropylamino)propan-1-ol

C6H13NO — CID 54547218

IUPAC3-(cyclopropylamino)propan-1-ol
SMILESOCCCNC1CC1
InChIInChI=1S/C6H13NO/c8-5-1-4-7-6-2-3-6/h6-8H,1-5H2
InChIKeyCMNRBVDFOGJTTD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds4

About 3-(cyclopropylamino)propan-1-ol

3-(cyclopropylamino)propan-1-ol (PubChem CID 54547218) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylamino)propan-1-ol
PubChem CID54547218
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(cyclopropylamino)propan-1-ol
SMILESOCCCNC1CC1
InChIInChI=1S/C6H13NO/c8-5-1-4-7-6-2-3-6/h6-8H,1-5H2
InChIKeyCMNRBVDFOGJTTD-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-(cyclopropylamino)propan-1-ol (CID 54547218) is 3-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-(cyclopropylamino)propan-1-ol is OCCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)propan-1-ol?
The InChIKey is CMNRBVDFOGJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c8-5-1-4-7-6-2-3-6/h6-8H,1-5H2.
What are the key properties of 3-(cyclopropylamino)propan-1-ol?
3-(cyclopropylamino)propan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 54547218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).