3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol

C13H23NO — CID 43751054

IUPAC3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C13H23NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-2,11-15H,3-10H2
InChIKeyRTGLJOLFIHKHEJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds3

About 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol

3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol (PubChem CID 43751054) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
PubChem CID43751054
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C13H23NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-2,11-15H,3-10H2
InChIKeyRTGLJOLFIHKHEJ-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol (CID 43751054) is 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol is OC1CCCC(NCC2CC=CCC2)C1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The InChIKey is RTGLJOLFIHKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-2,11-15H,3-10H2.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).