cyclohexane;diamino decanedioate

C16H32N2O4 — CID 70626371

IUPACcyclohexane;diamino decanedioate
SMILESC1CCCCC1.NOC(=O)CCCCCCCCC(=O)ON
InChIInChI=1S/C10H20N2O4.C6H12/c11-15-9(13)7-5-3-1-2-4-6-8-10(14)16-12;1-2-4-6-5-3-1/h1-8,11-12H2;1-6H2
InChIKeyDSEVENRDJISQQR-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.28
Rot. Bonds9

About cyclohexane;diamino decanedioate

cyclohexane;diamino decanedioate (PubChem CID 70626371) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is cyclohexane;diamino decanedioate.

Molecular Properties

Compound Namecyclohexane;diamino decanedioate
PubChem CID70626371
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Namecyclohexane;diamino decanedioate
SMILESC1CCCCC1.NOC(=O)CCCCCCCCC(=O)ON
InChIInChI=1S/C10H20N2O4.C6H12/c11-15-9(13)7-5-3-1-2-4-6-8-10(14)16-12;1-2-4-6-5-3-1/h1-8,11-12H2;1-6H2
InChIKeyDSEVENRDJISQQR-UHFFFAOYSA-N
XLogP3.28
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diamino tetradecanedioate
CID 174564109
sodium;diamino heptanedioate;hydride
CID 174435177
amino 8-aminooctanoate
CID 87659694
amino 5-aminopentanoate
CID 22929227
amino 12-oxododecanoate
CID 57157171
amino 7,7-dimethyloctanoate
CID 156697995
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
amino 6-methylheptanoate
CID 54422100
amino 4-phosphorosobutanoate
CID 87689252
amino 7-hydroxytetradecanoate
CID 57067811
amino 9-oxo-9-phenylnonanoate
CID 174840256
amino 5-methylhexanoate
CID 18970778

Frequently Asked Questions

What is the IUPAC name of cyclohexane;diamino decanedioate?
The IUPAC name of cyclohexane;diamino decanedioate (CID 70626371) is cyclohexane;diamino decanedioate.
What is the SMILES notation for cyclohexane;diamino decanedioate?
The canonical SMILES for cyclohexane;diamino decanedioate is C1CCCCC1.NOC(=O)CCCCCCCCC(=O)ON.
What is the InChIKey of cyclohexane;diamino decanedioate?
The InChIKey is DSEVENRDJISQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.C6H12/c11-15-9(13)7-5-3-1-2-4-6-8-10(14)16-12;1-2-4-6-5-3-1/h1-8,11-12H2;1-6H2.
What are the key properties of cyclohexane;diamino decanedioate?
cyclohexane;diamino decanedioate has a molecular weight of 316.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;diamino decanedioate is sourced from PubChem (CID 70626371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).