(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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Related Compounds

[8-methyl-3-(methylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054110
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
[8-methyl-3-(2-methylpropylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054946
[1-amino-3-(2,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79641278
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
[1-amino-3-(3-azabicyclo[3.3.1]nonan-3-yl)cyclopentyl]methanol
CID 114196891
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 54893127
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080

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).