ethane;1-(propylaminomethyl)cyclobutan-1-ol

C10H23NO — CID 171515256

IUPACethane;1-(propylaminomethyl)cyclobutan-1-ol
SMILESCC.CCCNCC1(O)CCC1
InChIInChI=1S/C8H17NO.C2H6/c1-2-6-9-7-8(10)4-3-5-8;1-2/h9-10H,2-7H2,1H3;1-2H3
InChIKeyGHUQEWVOWVOXKS-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.93
Rot. Bonds4

About ethane;1-(propylaminomethyl)cyclobutan-1-ol

ethane;1-(propylaminomethyl)cyclobutan-1-ol (PubChem CID 171515256) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;1-(propylaminomethyl)cyclobutan-1-ol.

Molecular Properties

Compound Nameethane;1-(propylaminomethyl)cyclobutan-1-ol
PubChem CID171515256
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;1-(propylaminomethyl)cyclobutan-1-ol
SMILESCC.CCCNCC1(O)CCC1
InChIInChI=1S/C8H17NO.C2H6/c1-2-6-9-7-8(10)4-3-5-8;1-2/h9-10H,2-7H2,1H3;1-2H3
InChIKeyGHUQEWVOWVOXKS-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-(propylaminomethyl)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(propylaminomethyl)cyclobutan-1-ol?
The IUPAC name of ethane;1-(propylaminomethyl)cyclobutan-1-ol (CID 171515256) is ethane;1-(propylaminomethyl)cyclobutan-1-ol.
What is the SMILES notation for ethane;1-(propylaminomethyl)cyclobutan-1-ol?
The canonical SMILES for ethane;1-(propylaminomethyl)cyclobutan-1-ol is CC.CCCNCC1(O)CCC1.
What is the InChIKey of ethane;1-(propylaminomethyl)cyclobutan-1-ol?
The InChIKey is GHUQEWVOWVOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-2-6-9-7-8(10)4-3-5-8;1-2/h9-10H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(propylaminomethyl)cyclobutan-1-ol?
ethane;1-(propylaminomethyl)cyclobutan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(propylaminomethyl)cyclobutan-1-ol is sourced from PubChem (CID 171515256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).