[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol

C13H25NO2 — CID 81412633

IUPAC[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol
SMILESC=COCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-10-6-9-14-11-13(12-15)7-4-3-5-8-13/h2,14-15H,1,3-12H2
InChIKeyKXFIQJOFHMQWSO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.07
Rot. Bonds8

About [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol

[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol (PubChem CID 81412633) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol
PubChem CID81412633
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol
SMILESC=COCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-10-6-9-14-11-13(12-15)7-4-3-5-8-13/h2,14-15H,1,3-12H2
InChIKeyKXFIQJOFHMQWSO-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol 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 [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol (CID 81412633) is [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol is C=COCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol?
The InChIKey is KXFIQJOFHMQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-16-10-6-9-14-11-13(12-15)7-4-3-5-8-13/h2,14-15H,1,3-12H2.
What are the key properties of [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol?
[1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol has a molecular weight of 227.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethenoxypropylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).