(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane

C12H23NO — CID 176632015

IUPAC(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCOCC12CC1N(C(C)(C)C)[C@H](C)C2
InChIInChI=1S/C12H23NO/c1-9-6-12(8-14-5)7-10(12)13(9)11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10?,12?/m1/s1
InChIKeyGOWXPLYHPZARKD-GRZMOONWSA-N
MW197.32 g/mol
LogP2.28
Rot. Bonds2

About (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane

(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 176632015) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID176632015
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCOCC12CC1N(C(C)(C)C)[C@H](C)C2
InChIInChI=1S/C12H23NO/c1-9-6-12(8-14-5)7-10(12)13(9)11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10?,12?/m1/s1
InChIKeyGOWXPLYHPZARKD-GRZMOONWSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane
CID 171817491
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 170080212
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 176632123
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
CID 176632075
1-[4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]piperazin-1-yl]ethanone
CID 176632061
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 149109413
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 153298312
2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
CID 176632013
2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile
CID 153298482
[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
CID 135182755
4-(methoxymethyl)-1,2,6-trimethylpiperidin-4-amine
CID 83907030
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane (CID 176632015) is (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane is COCC12CC1N(C(C)(C)C)[C@H](C)C2.
What is the InChIKey of (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is GOWXPLYHPZARKD-GRZMOONWSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-6-12(8-14-5)7-10(12)13(9)11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10?,12?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 197.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 176632015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).