3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol

C8H17NO2 — CID 66004235

IUPAC3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
SMILESOCCCNCC1CC(O)C1
InChIInChI=1S/C8H17NO2/c10-3-1-2-9-6-7-4-8(11)5-7/h7-11H,1-6H2
InChIKeyLMADLNILRHGULQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds5

About 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol

3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol (PubChem CID 66004235) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
PubChem CID66004235
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
SMILESOCCCNCC1CC(O)C1
InChIInChI=1S/C8H17NO2/c10-3-1-2-9-6-7-4-8(11)5-7/h7-11H,1-6H2
InChIKeyLMADLNILRHGULQ-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol (CID 66004235) is 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol is OCCCNCC1CC(O)C1.
What is the InChIKey of 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol?
The InChIKey is LMADLNILRHGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-3-1-2-9-6-7-4-8(11)5-7/h7-11H,1-6H2.
What are the key properties of 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol?
3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).