2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol

C8H17NO2 — CID 130555490

IUPAC2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
SMILESCC1CCC1(CN)OCCO
InChIInChI=1S/C8H17NO2/c1-7-2-3-8(7,6-9)11-5-4-10/h7,10H,2-6,9H2,1H3
InChIKeyBBSHKGHGPUTXRI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.12
Rot. Bonds4

About 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol

2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol (PubChem CID 130555490) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
PubChem CID130555490
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
SMILESCC1CCC1(CN)OCCO
InChIInChI=1S/C8H17NO2/c1-7-2-3-8(7,6-9)11-5-4-10/h7,10H,2-6,9H2,1H3
InChIKeyBBSHKGHGPUTXRI-UHFFFAOYSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol?
The IUPAC name of 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol (CID 130555490) is 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol.
What is the SMILES notation for 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol?
The canonical SMILES for 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol is CC1CCC1(CN)OCCO.
What is the InChIKey of 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol?
The InChIKey is BBSHKGHGPUTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-2-3-8(7,6-9)11-5-4-10/h7,10H,2-6,9H2,1H3.
What are the key properties of 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol?
2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol has a molecular weight of 159.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol is sourced from PubChem (CID 130555490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).