acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine

C10H22N2O4 — CID 159991522

IUPACacetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C6H14N2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h5-6H,1-4,7-8H2;2*1H3,(H,3,4)/t5-,6-;;/m1../s1
InChIKeyOGZVEPYZKPDQBT-BNTLRKBRSA-N
MW234.30 g/mol
LogP0.40
Rot. Bonds

About acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine

acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 159991522) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID159991522
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nameacetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C6H14N2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h5-6H,1-4,7-8H2;2*1H3,(H,3,4)/t5-,6-;;/m1../s1
InChIKeyOGZVEPYZKPDQBT-BNTLRKBRSA-N
XLogP0.40
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;cyclohexane-1,2-diamine
CID 67321744
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
2-hydroxyacetic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 88686306
bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
acetic acid;cyclohexylcyclohexane
CID 67293698
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
CID 178190892
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001

Frequently Asked Questions

What is the IUPAC name of acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine (CID 159991522) is acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine is CC(=O)O.CC(=O)O.N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is OGZVEPYZKPDQBT-BNTLRKBRSA-N. The full InChI is InChI=1S/C6H14N2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h5-6H,1-4,7-8H2;2*1H3,(H,3,4)/t5-,6-;;/m1../s1.
What are the key properties of acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine?
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 234.30 g/mol, XLogP of 0.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 159991522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).