1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol

C14H27NO2 — CID 79128824

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-11-6-12(2,3)8-14(16,7-11)13(9-15)4-5-17-10-13/h11,16H,4-10,15H2,1-3H3
InChIKeyYWWULXDRJXBWHF-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.93
Rot. Bonds2

About 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 79128824) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
PubChem CID79128824
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2(CN)CCOC2)C1
InChIInChI=1S/C14H27NO2/c1-11-6-12(2,3)8-14(16,7-11)13(9-15)4-5-17-10-13/h11,16H,4-10,15H2,1-3H3
InChIKeyYWWULXDRJXBWHF-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3,5-trimethylcyclohexan-1-ol
CID 79129042
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
3-[3-(aminomethyl)oxolan-3-yl]-2-methyloxolan-3-ol
CID 82721047
1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
CID 106874866
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
1-[3-(aminomethyl)oxolan-3-yl]-2,3-dimethylcyclohexan-1-ol
CID 79125923
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol (CID 79128824) is 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol is CC1CC(C)(C)CC(O)(C2(CN)CCOC2)C1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is YWWULXDRJXBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-6-12(2,3)8-14(16,7-11)13(9-15)4-5-17-10-13/h11,16H,4-10,15H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 79128824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).