3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol

C15H29NO2 — CID 79933174

IUPAC3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(C2(CN)CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H29NO2/c1-12(2)10-15(17,13(3,4)18-12)14(11-16)8-6-5-7-9-14/h17H,5-11,16H2,1-4H3
InChIKeyPXGCPJCBCKLHMY-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds2

About 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79933174) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79933174
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(C2(CN)CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H29NO2/c1-12(2)10-15(17,13(3,4)18-12)14(11-16)8-6-5-7-9-14/h17H,5-11,16H2,1-4H3
InChIKeyPXGCPJCBCKLHMY-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
[1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 102744422
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
3-(cyclohexylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
CID 79927238
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 115338635
4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol
CID 114235679

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79933174) is 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(C2(CN)CCCCC2)C(C)(C)O1.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is PXGCPJCBCKLHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)10-15(17,13(3,4)18-12)14(11-16)8-6-5-7-9-14/h17H,5-11,16H2,1-4H3.
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 255.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79933174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).