[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine

C6H12N2 — CID 98119965

IUPAC[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1NC[C@H]2C[C@@H]21
InChIInChI=1S/C6H12N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3,7H2/t4-,5+,6+/m1/s1
InChIKeyTUIHCOLESXTWCL-SRQIZXRXSA-N
MW112.18 g/mol
LogP-0.45
Rot. Bonds1

About [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine

[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine (PubChem CID 98119965) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine.

Molecular Properties

Compound Name[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
PubChem CID98119965
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1NC[C@H]2C[C@@H]21
InChIInChI=1S/C6H12N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3,7H2/t4-,5+,6+/m1/s1
InChIKeyTUIHCOLESXTWCL-SRQIZXRXSA-N
XLogP-0.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
CID 126969951
3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 140501526
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
CID 155896224
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(3,4-dimethylpyrrolidin-2-yl)methanamine
CID 89431621
tert-butyl 2-(3-azabicyclo[3.1.0]hexan-2-ylmethylamino)propanoate
CID 139647579
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 89128835
(2R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 87354624
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 98228293

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The IUPAC name of [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine (CID 98119965) is [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine.
What is the SMILES notation for [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The canonical SMILES for [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine is NC[C@@H]1NC[C@H]2C[C@@H]21.
What is the InChIKey of [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The InChIKey is TUIHCOLESXTWCL-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3,7H2/t4-,5+,6+/m1/s1.
What are the key properties of [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine has a molecular weight of 112.18 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine is sourced from PubChem (CID 98119965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).