2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol

C12H23NO2 — CID 64910750

IUPAC2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(CNCC2CCCCC2O)COC1
InChIInChI=1S/C12H23NO2/c1-12(8-15-9-12)7-13-6-10-4-2-3-5-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyVBRUCPRRAVFOAM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds4

About 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64910750) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64910750
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(CNCC2CCCCC2O)COC1
InChIInChI=1S/C12H23NO2/c1-12(8-15-9-12)7-13-6-10-4-2-3-5-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyVBRUCPRRAVFOAM-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 64910750) is 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol is CC1(CNCC2CCCCC2O)COC1.
What is the InChIKey of 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is VBRUCPRRAVFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(8-15-9-12)7-13-6-10-4-2-3-5-11(10)14/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64910750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).