(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine

C8H16N2 — CID 137466687

IUPAC(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCC[C@H]1N(C)C[C@@H]2C[C@@]21N
InChIInChI=1S/C8H16N2/c1-3-7-8(9)4-6(8)5-10(7)2/h6-7H,3-5,9H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyPIGKUEWSQZNTHC-XLPZGREQSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds1

About (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine

(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 137466687) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID137466687
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCC[C@H]1N(C)C[C@@H]2C[C@@]21N
InChIInChI=1S/C8H16N2/c1-3-7-8(9)4-6(8)5-10(7)2/h6-7H,3-5,9H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyPIGKUEWSQZNTHC-XLPZGREQSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine (CID 137466687) is (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine is CC[C@H]1N(C)C[C@@H]2C[C@@]21N.
What is the InChIKey of (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is PIGKUEWSQZNTHC-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-8(9)4-6(8)5-10(7)2/h6-7H,3-5,9H2,1-2H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
(1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-ethyl-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 137466687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).