[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine

C6H12N2O2 — CID 55291443

IUPAC[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1O[C@@H](CN)[C@H]2O[C@H]21
InChIInChI=1S/C6H12N2O2/c7-1-3-5-6(10-5)4(2-8)9-3/h3-6H,1-2,7-8H2/t3-,4-,5-,6+/m0/s1
InChIKeyGNOOLLMBYUVDRB-OMMKOOBNSA-N
MW144.17 g/mol
LogP-1.56
Rot. Bonds2

About [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine

[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine (PubChem CID 55291443) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine.

Molecular Properties

Compound Name[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine
PubChem CID55291443
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1O[C@@H](CN)[C@H]2O[C@H]21
InChIInChI=1S/C6H12N2O2/c7-1-3-5-6(10-5)4(2-8)9-3/h3-6H,1-2,7-8H2/t3-,4-,5-,6+/m0/s1
InChIKeyGNOOLLMBYUVDRB-OMMKOOBNSA-N
XLogP-1.56
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine?
The IUPAC name of [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine (CID 55291443) is [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine.
What is the SMILES notation for [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine?
The canonical SMILES for [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine is NC[C@@H]1O[C@@H](CN)[C@H]2O[C@H]21.
What is the InChIKey of [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine?
The InChIKey is GNOOLLMBYUVDRB-OMMKOOBNSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-1-3-5-6(10-5)4(2-8)9-3/h3-6H,1-2,7-8H2/t3-,4-,5-,6+/m0/s1.
What are the key properties of [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine?
[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine has a molecular weight of 144.17 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine is sourced from PubChem (CID 55291443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).