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

C14H27NO2 — CID 79124438

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-6-14(16,7-5-12)13(10-15)8-9-17-11-13/h12,16H,2-11,15H2,1H3
InChIKeyKYIQFEBQKRKJHK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.07
Rot. Bonds3

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

1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol (PubChem CID 79124438) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol
PubChem CID79124438
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-6-14(16,7-5-12)13(10-15)8-9-17-11-13/h12,16H,2-11,15H2,1H3
InChIKeyKYIQFEBQKRKJHK-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.07
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-ethylcycloheptan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol (CID 79124438) is 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol is CCC1CCCC(O)(C2(CN)CCOC2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol?
The InChIKey is KYIQFEBQKRKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-12-4-3-6-14(16,7-5-12)13(10-15)8-9-17-11-13/h12,16H,2-11,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-4-ethylcycloheptan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.07, 3 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-ethylcycloheptan-1-ol is sourced from PubChem (CID 79124438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).