[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol

C9H17NO — CID 105430374

IUPAC[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESNCC1(CO)CC2CCC1C2
InChIInChI=1S/C9H17NO/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8,11H,1-6,10H2
InChIKeyBUBOKFNEOPKUKI-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.74
Rot. Bonds2

About [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 105430374) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID105430374
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESNCC1(CO)CC2CCC1C2
InChIInChI=1S/C9H17NO/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8,11H,1-6,10H2
InChIKeyBUBOKFNEOPKUKI-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol (CID 105430374) is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol is NCC1(CO)CC2CCC1C2.
What is the InChIKey of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is BUBOKFNEOPKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8,11H,1-6,10H2.
What are the key properties of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 105430374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).