4-[1-(aminomethyl)cyclohexyl]oxan-4-ol

C12H23NO2 — CID 79135136

IUPAC4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-10-11(4-2-1-3-5-11)12(14)6-8-15-9-7-12/h14H,1-10,13H2
InChIKeyZLNDRICEQOACJK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.44
Rot. Bonds2

About 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol

4-[1-(aminomethyl)cyclohexyl]oxan-4-ol (PubChem CID 79135136) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
PubChem CID79135136
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCCCC1
InChIInChI=1S/C12H23NO2/c13-10-11(4-2-1-3-5-11)12(14)6-8-15-9-7-12/h14H,1-10,13H2
InChIKeyZLNDRICEQOACJK-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79125807
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol (CID 79135136) is 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol is NCC1(C2(O)CCOCC2)CCCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol?
The InChIKey is ZLNDRICEQOACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-10-11(4-2-1-3-5-11)12(14)6-8-15-9-7-12/h14H,1-10,13H2.
What are the key properties of 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol?
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclohexyl]oxan-4-ol is sourced from PubChem (CID 79135136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).