[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol

C13H23NO2 — CID 79137630

IUPAC[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCOCC1
InChIInChI=1S/C13H23NO2/c14-10-13(6-8-16-9-7-13)12(15)11-4-2-1-3-5-11/h1-2,11-12,15H,3-10,14H2
InChIKeyIBLZXBANHBWHMR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.46
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol

[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol (PubChem CID 79137630) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol
PubChem CID79137630
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCOCC1
InChIInChI=1S/C13H23NO2/c14-10-13(6-8-16-9-7-13)12(15)11-4-2-1-3-5-11/h1-2,11-12,15H,3-10,14H2
InChIKeyIBLZXBANHBWHMR-UHFFFAOYSA-N
XLogP1.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol (CID 79137630) is [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol is NCC1(C(O)C2CC=CCC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol?
The InChIKey is IBLZXBANHBWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-10-13(6-8-16-9-7-13)12(15)11-4-2-1-3-5-11/h1-2,11-12,15H,3-10,14H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol?
[4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol has a molecular weight of 225.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 79137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).