3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol

C13H25NO2 — CID 104532084

IUPAC3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC1CCC(NCC2(O)CCOC2)C(C)C1
InChIInChI=1S/C13H25NO2/c1-10-3-4-12(11(2)7-10)14-8-13(15)5-6-16-9-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBQLPAXAWSRPKFE-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds3

About 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol

3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol (PubChem CID 104532084) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
PubChem CID104532084
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC1CCC(NCC2(O)CCOC2)C(C)C1
InChIInChI=1S/C13H25NO2/c1-10-3-4-12(11(2)7-10)14-8-13(15)5-6-16-9-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBQLPAXAWSRPKFE-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 129374167
(3S)-3-[[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854347
4-[[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 99854324
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
3-[[(2-cyclohexylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904857
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115883491

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol (CID 104532084) is 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol is CC1CCC(NCC2(O)CCOC2)C(C)C1.
What is the InChIKey of 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol?
The InChIKey is BQLPAXAWSRPKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-3-4-12(11(2)7-10)14-8-13(15)5-6-16-9-13/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol?
3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 104532084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).