[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol

C11H21NO — CID 63043612

IUPAC[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol
SMILESCC1CCCCC12CC2(CN)CO
InChIInChI=1S/C11H21NO/c1-9-4-2-3-5-11(9)6-10(11,7-12)8-13/h9,13H,2-8,12H2,1H3
InChIKeyLEHBAECBKZKPRK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.52
Rot. Bonds2

About [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol

[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol (PubChem CID 63043612) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol
PubChem CID63043612
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol
SMILESCC1CCCCC12CC2(CN)CO
InChIInChI=1S/C11H21NO/c1-9-4-2-3-5-11(9)6-10(11,7-12)8-13/h9,13H,2-8,12H2,1H3
InChIKeyLEHBAECBKZKPRK-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol?
The IUPAC name of [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol (CID 63043612) is [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol?
The canonical SMILES for [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol is CC1CCCCC12CC2(CN)CO.
What is the InChIKey of [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol?
The InChIKey is LEHBAECBKZKPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-4-2-3-5-11(9)6-10(11,7-12)8-13/h9,13H,2-8,12H2,1H3.
What are the key properties of [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol?
[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol is sourced from PubChem (CID 63043612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).