(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

C9H18N2O — CID 61056846

IUPAC(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(N)(CO)C2
InChIInChI=1S/C9H18N2O/c1-11-7-2-3-8(11)5-9(10,4-7)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeyJERNTYLIGSFGPT-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.07
Rot. Bonds1

About (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol

(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (PubChem CID 61056846) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
PubChem CID61056846
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(N)(CO)C2
InChIInChI=1S/C9H18N2O/c1-11-7-2-3-8(11)5-9(10,4-7)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeyJERNTYLIGSFGPT-UHFFFAOYSA-N
XLogP-0.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The IUPAC name of (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (CID 61056846) is (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.
What is the SMILES notation for (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The canonical SMILES for (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is CN1C2CCC1CC(N)(CO)C2.
What is the InChIKey of (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The InChIKey is JERNTYLIGSFGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-7-2-3-8(11)5-9(10,4-7)6-12/h7-8,12H,2-6,10H2,1H3.
What are the key properties of (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol has a molecular weight of 170.26 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is sourced from PubChem (CID 61056846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).