4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol

C13H25NO3 — CID 114266661

IUPAC4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
SMILESCC1(C)CCC(CN)(OC2COCC2O)CC1
InChIInChI=1S/C13H25NO3/c1-12(2)3-5-13(9-14,6-4-12)17-11-8-16-7-10(11)15/h10-11,15H,3-9,14H2,1-2H3
InChIKeyQOIBCVGTQNGZRP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.06
Rot. Bonds3

About 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol

4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol (PubChem CID 114266661) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
PubChem CID114266661
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol
SMILESCC1(C)CCC(CN)(OC2COCC2O)CC1
InChIInChI=1S/C13H25NO3/c1-12(2)3-5-13(9-14,6-4-12)17-11-8-16-7-10(11)15/h10-11,15H,3-9,14H2,1-2H3
InChIKeyQOIBCVGTQNGZRP-UHFFFAOYSA-N
XLogP1.06
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol
CID 114266660
(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
(3R,4R)-4-methylsulfanyloxyoxolan-3-ol
CID 167184845
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
4-(2-amino-2-methylpropoxy)oxolan-3-ol
CID 130502861
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
(4-hydroxyoxolan-3-yl) hypoiodite
CID 134388200
(4-hydroxyoxolan-3-yl) 2,2,3-trimethyl-3-propanoylcyclopentane-1-carboxylate
CID 154684447
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol?
The IUPAC name of 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol (CID 114266661) is 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol is CC1(C)CCC(CN)(OC2COCC2O)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol?
The InChIKey is QOIBCVGTQNGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2)3-5-13(9-14,6-4-12)17-11-8-16-7-10(11)15/h10-11,15H,3-9,14H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol?
4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyoxolan-3-ol is sourced from PubChem (CID 114266661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).