3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol

C15H29NO2 — CID 103848335

IUPAC3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC(C)(C)C1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-4-6-13(7-5-12)16-10-15(17)8-9-18-11-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyAGWHTCRFVAOOMV-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds3

About 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol

3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol (PubChem CID 103848335) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
PubChem CID103848335
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC(C)(C)C1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-4-6-13(7-5-12)16-10-15(17)8-9-18-11-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyAGWHTCRFVAOOMV-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 107270594
3-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 113460017
8-t-Butyl-3-cyclohexylaminomethyl-3-hydroxyl-1-oxaspiro(4,5)decane
CID 19040168
4-[[(1S)-1-cyclohexylethyl]amino]oxolan-3-ol
CID 81384767
4-[(4-Methylcyclohexyl)amino]oxolan-3-ol
CID 60898950
4-[(4-Ethylcyclohexyl)methylamino]oxolan-3-ol
CID 60973206
4-[(4-Ethylcyclohexyl)amino]oxolan-3-ol
CID 61470396
4-[(4-Propylcyclohexyl)amino]oxolan-3-ol
CID 61508944
4-[(2-Methylcyclohexyl)methylamino]oxolan-3-ol
CID 61610562
4-(1-Cyclohexylpropylamino)oxolan-3-ol
CID 62405578
4-(1-Cyclohexylethylamino)oxolan-3-ol
CID 62407345
4-[(2,4-Dimethylcyclohexyl)amino]oxolan-3-ol
CID 63995280

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol (CID 103848335) is 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol is CC(C)(C)C1CCC(NCC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol?
The InChIKey is AGWHTCRFVAOOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12-4-6-13(7-5-12)16-10-15(17)8-9-18-11-15/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol?
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).