1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol

C14H27NO2 — CID 116525051

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)7-6-12(17-13)10-14(16)8-4-11(15-3)5-9-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyDEAYSOGCFGMTPO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol

1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol (PubChem CID 116525051) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol
PubChem CID116525051
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol
SMILESCNC1CCC(O)(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)7-6-12(17-13)10-14(16)8-4-11(15-3)5-9-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyDEAYSOGCFGMTPO-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 116523643
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
4-[(5,5-dimethyloxolan-2-yl)methyl]oxane-4-carbonitrile
CID 116524976
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
CID 116525208
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
CID 106100604
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 116523798
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol (CID 116525051) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol is CNC1CCC(O)(CC2CCC(C)(C)O2)CC1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol?
The InChIKey is DEAYSOGCFGMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)7-6-12(17-13)10-14(16)8-4-11(15-3)5-9-14/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol?
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 116525051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).