1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol

C13H23NO — CID 65107153

IUPAC1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC2CC=CCC2)CCCC1
InChIInChI=1S/C13H23NO/c15-13(8-4-5-9-13)11-14-10-12-6-2-1-3-7-12/h1-2,12,14-15H,3-11H2
InChIKeyNFGBGGPTBVQRTG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds4

About 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol

1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 65107153) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID65107153
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC2CC=CCC2)CCCC1
InChIInChI=1S/C13H23NO/c15-13(8-4-5-9-13)11-14-10-12-6-2-1-3-7-12/h1-2,12,14-15H,3-11H2
InChIKeyNFGBGGPTBVQRTG-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol (CID 65107153) is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol is OC1(CNCC2CC=CCC2)CCCC1.
What is the InChIKey of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is NFGBGGPTBVQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(8-4-5-9-13)11-14-10-12-6-2-1-3-7-12/h1-2,12,14-15H,3-11H2.
What are the key properties of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol?
1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).