(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine

C9H18N2 — CID 118346527

IUPAC(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine
SMILESCC[C@]12C[C@H](CN1C)[C@H](N)C2
InChIInChI=1S/C9H18N2/c1-3-9-4-7(6-11(9)2)8(10)5-9/h7-8H,3-6,10H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyIYVQRHUQWXHLRG-IWSPIJDZSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine

(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine (PubChem CID 118346527) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine.

Molecular Properties

Compound Name(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine
PubChem CID118346527
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine
SMILESCC[C@]12C[C@H](CN1C)[C@H](N)C2
InChIInChI=1S/C9H18N2/c1-3-9-4-7(6-11(9)2)8(10)5-9/h7-8H,3-6,10H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyIYVQRHUQWXHLRG-IWSPIJDZSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
CID 177010091
3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine
CID 171831395
(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 137466687
(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
CID 178101614
7-methyl-7-azatricyclo[3.3.1.03,9]nonan-3-amine
CID 123304535
(2R,3aS,4aS,8aS)-3a-ethyl-2-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydropyrrolo[1,2-a]indole
CID 167301369
ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156753885
ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 177009844
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
2-ethyl-4-methyl-4-azaspiro[2.4]heptane
CID 170608131
3-ethyl-3-methylcyclobutan-1-amine
CID 121388624
(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine
CID 89347359

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine?
The IUPAC name of (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine (CID 118346527) is (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine.
What is the SMILES notation for (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine?
The canonical SMILES for (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine is CC[C@]12C[C@H](CN1C)[C@H](N)C2.
What is the InChIKey of (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine?
The InChIKey is IYVQRHUQWXHLRG-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9-4-7(6-11(9)2)8(10)5-9/h7-8H,3-6,10H2,1-2H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine?
(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine is sourced from PubChem (CID 118346527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).