[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol

C10H19NO — CID 59460993

IUPAC[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESNCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H19NO/c11-7-9-1-4-10(8-12,5-2-9)6-3-9/h12H,1-8,11H2
InChIKeyCTYZLJOKCWVRGE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.28
Rot. Bonds2

About [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 59460993) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID59460993
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESNCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H19NO/c11-7-9-1-4-10(8-12,5-2-9)6-3-9/h12H,1-8,11H2
InChIKeyCTYZLJOKCWVRGE-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol (CID 59460993) is [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol is NCC12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is CTYZLJOKCWVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-9-1-4-10(8-12,5-2-9)6-3-9/h12H,1-8,11H2.
What are the key properties of [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol?
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 59460993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).