1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol

C11H23NO2 — CID 60896895

IUPAC1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCOCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(8-14-2)12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyVIYOIQRQKUIDAN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds5

About 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol

1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 60896895) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID60896895
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCOCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(8-14-2)12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyVIYOIQRQKUIDAN-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol (CID 60896895) is 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol is COCC(C)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is VIYOIQRQKUIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(8-14-2)12-9-11(13)6-4-3-5-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol?
1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxypropan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60896895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).