acetic acid;cyclohexane-1,2-diamine

C16H34N2O10 — CID 67321744

IUPACacetic acid;cyclohexane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NC1CCCCC1N
InChIInChI=1S/C6H14N2.5C2H4O2/c7-5-3-1-2-4-6(5)8;5*1-2(3)4/h5-6H,1-4,7-8H2;5*1H3,(H,3,4)
InChIKeyDIZLMRQFIGWEGF-UHFFFAOYSA-N
MW414.45 g/mol
LogP0.67
Rot. Bonds

About acetic acid;cyclohexane-1,2-diamine

acetic acid;cyclohexane-1,2-diamine (PubChem CID 67321744) has the molecular formula C16H34N2O10 and a molecular weight of 414.45 g/mol. Its IUPAC name is acetic acid;cyclohexane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;cyclohexane-1,2-diamine
PubChem CID67321744
Molecular FormulaC16H34N2O10
Molecular Weight414.45 g/mol
Exact Mass414.22
IUPAC Nameacetic acid;cyclohexane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NC1CCCCC1N
InChIInChI=1S/C6H14N2.5C2H4O2/c7-5-3-1-2-4-6(5)8;5*1-2(3)4/h5-6H,1-4,7-8H2;5*1H3,(H,3,4)
InChIKeyDIZLMRQFIGWEGF-UHFFFAOYSA-N
XLogP0.67
TPSA238.54 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 50.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze acetic acid;cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
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;cyclohexane-1,2-diamine?
The IUPAC name of acetic acid;cyclohexane-1,2-diamine (CID 67321744) is acetic acid;cyclohexane-1,2-diamine.
What is the SMILES notation for acetic acid;cyclohexane-1,2-diamine?
The canonical SMILES for acetic acid;cyclohexane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NC1CCCCC1N.
What is the InChIKey of acetic acid;cyclohexane-1,2-diamine?
The InChIKey is DIZLMRQFIGWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.5C2H4O2/c7-5-3-1-2-4-6(5)8;5*1-2(3)4/h5-6H,1-4,7-8H2;5*1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexane-1,2-diamine?
acetic acid;cyclohexane-1,2-diamine has a molecular weight of 414.45 g/mol, XLogP of 0.67, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexane-1,2-diamine is sourced from PubChem (CID 67321744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).