4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol

C13H25NO2 — CID 79124984

IUPAC4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(C2(CN)CCC2)CCO1
InChIInChI=1S/C13H25NO2/c1-10(2)11-8-13(15,6-7-16-11)12(9-14)4-3-5-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyADNJGKPSTHLYFM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.68
Rot. Bonds3

About 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol

4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol (PubChem CID 79124984) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
PubChem CID79124984
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(C2(CN)CCC2)CCO1
InChIInChI=1S/C13H25NO2/c1-10(2)11-8-13(15,6-7-16-11)12(9-14)4-3-5-12/h10-11,15H,3-9,14H2,1-2H3
InChIKeyADNJGKPSTHLYFM-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
methyl 2-[4-(aminomethyl)-2-propan-2-yloxan-4-yl]acetate
CID 66097448
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
4-(cyclopentylmethyl)-2-propan-2-yloxan-4-ol
CID 65148777
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
4-butan-2-yl-2-propan-2-yloxan-4-ol
CID 79445575
3-ethyl-1-(4-hydroxy-2-propan-2-yloxan-4-yl)cyclohexane-1-carbonitrile
CID 79132162
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol (CID 79124984) is 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol is CC(C)C1CC(O)(C2(CN)CCC2)CCO1.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol?
The InChIKey is ADNJGKPSTHLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)11-8-13(15,6-7-16-11)12(9-14)4-3-5-12/h10-11,15H,3-9,14H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol?
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol has a molecular weight of 227.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 79124984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).