1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol

C13H25NO2 — CID 79124841

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-2-5-13(15,6-4-11)12(9-14)7-8-16-10-12/h11,15H,2-10,14H2,1H3
InChIKeyXDTIUKWIBJECFJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.68
Rot. Bonds2

About 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol (PubChem CID 79124841) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol
PubChem CID79124841
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-2-5-13(15,6-4-11)12(9-14)7-8-16-10-12/h11,15H,2-10,14H2,1H3
InChIKeyXDTIUKWIBJECFJ-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol (CID 79124841) is 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol is CC1CCCC(O)(C2(CN)CCOC2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol?
The InChIKey is XDTIUKWIBJECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-3-2-5-13(15,6-4-11)12(9-14)7-8-16-10-12/h11,15H,2-10,14H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-4-methylcycloheptan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.68, 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]-4-methylcycloheptan-1-ol is sourced from PubChem (CID 79124841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).