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

C6H12N2 — CID 10888644

IUPAC(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCN1C[C@@H]2C[C@]2(N)C1
InChIInChI=1S/C6H12N2/c1-8-3-5-2-6(5,7)4-8/h5H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyMNDNHUQXXUMNKO-WDSKDSINSA-N
MW112.18 g/mol
LogP-0.35
Rot. Bonds

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

(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine (PubChem CID 10888644) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
PubChem CID10888644
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine
SMILESCN1C[C@@H]2C[C@]2(N)C1
InChIInChI=1S/C6H12N2/c1-8-3-5-2-6(5,7)4-8/h5H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyMNDNHUQXXUMNKO-WDSKDSINSA-N
XLogP-0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine (CID 10888644) is (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine is CN1C[C@@H]2C[C@]2(N)C1.
What is the InChIKey of (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
The InChIKey is MNDNHUQXXUMNKO-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-3-5-2-6(5,7)4-8/h5H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine?
(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine has a molecular weight of 112.18 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 10888644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).