cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane

C8H20N2O2 — CID 143143276

IUPACcis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane
SMILESCOC.N[C@@H]1CC(O)C[C@H](N)C1
InChIInChI=1S/C6H14N2O.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-3-2/h4-6,9H,1-3,7-8H2;1-2H3/t4-,5+,6?;
InChIKeyUJFULGMUDBAKCP-FTEHNKOGSA-N
MW176.26 g/mol
LogP-0.55
Rot. Bonds

About cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane

cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane (PubChem CID 143143276) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane.

Molecular Properties

Compound Namecis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane
PubChem CID143143276
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Namecis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane
SMILESCOC.N[C@@H]1CC(O)C[C@H](N)C1
InChIInChI=1S/C6H14N2O.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-3-2/h4-6,9H,1-3,7-8H2;1-2H3/t4-,5+,6?;
InChIKeyUJFULGMUDBAKCP-FTEHNKOGSA-N
XLogP-0.55
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane?
The IUPAC name of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane (CID 143143276) is cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane.
What is the SMILES notation for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane?
The canonical SMILES for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane is COC.N[C@@H]1CC(O)C[C@H](N)C1.
What is the InChIKey of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane?
The InChIKey is UJFULGMUDBAKCP-FTEHNKOGSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6O/c7-4-1-5(8)3-6(9)2-4;1-3-2/h4-6,9H,1-3,7-8H2;1-2H3/t4-,5+,6?;.
What are the key properties of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane?
cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane has a molecular weight of 176.26 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol;methoxymethane is sourced from PubChem (CID 143143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).