1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol

C13H23NO — CID 155442113

IUPAC1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol
SMILESC=C(CC)NCC1CCC(C(=C)O)CC1
InChIInChI=1S/C13H23NO/c1-4-10(2)14-9-12-5-7-13(8-6-12)11(3)15/h12-15H,2-9H2,1H3
InChIKeyHCINLCPKGHPUEV-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.38
Rot. Bonds5

About 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol

1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol (PubChem CID 155442113) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol.

Molecular Properties

Compound Name1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol
PubChem CID155442113
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol
SMILESC=C(CC)NCC1CCC(C(=C)O)CC1
InChIInChI=1S/C13H23NO/c1-4-10(2)14-9-12-5-7-13(8-6-12)11(3)15/h12-15H,2-9H2,1H3
InChIKeyHCINLCPKGHPUEV-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol 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-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol?
The IUPAC name of 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol (CID 155442113) is 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol.
What is the SMILES notation for 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol?
The canonical SMILES for 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol is C=C(CC)NCC1CCC(C(=C)O)CC1.
What is the InChIKey of 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol?
The InChIKey is HCINLCPKGHPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-10(2)14-9-12-5-7-13(8-6-12)11(3)15/h12-15H,2-9H2,1H3.
What are the key properties of 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol?
1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol has a molecular weight of 209.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol is sourced from PubChem (CID 155442113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).