2,10-diaminodec-1-en-1-one;pentahydrate

C10H30N2O6 — CID 176520266

IUPAC2,10-diaminodec-1-en-1-one;pentahydrate
SMILESNCCCCCCCCC(N)=C=O.O.O.O.O.O
InChIInChI=1S/C10H20N2O.5H2O/c11-8-6-4-2-1-3-5-7-10(12)9-13;;;;;/h1-8,11-12H2;5*1H2
InChIKeyIOOPIIIKRVNYRZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP-2.77
Rot. Bonds8

About 2,10-diaminodec-1-en-1-one;pentahydrate

2,10-diaminodec-1-en-1-one;pentahydrate (PubChem CID 176520266) has the molecular formula C10H30N2O6 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,10-diaminodec-1-en-1-one;pentahydrate.

Molecular Properties

Compound Name2,10-diaminodec-1-en-1-one;pentahydrate
PubChem CID176520266
Molecular FormulaC10H30N2O6
Molecular Weight274.36 g/mol
Exact Mass274.21
IUPAC Name2,10-diaminodec-1-en-1-one;pentahydrate
SMILESNCCCCCCCCC(N)=C=O.O.O.O.O.O
InChIInChI=1S/C10H20N2O.5H2O/c11-8-6-4-2-1-3-5-7-10(12)9-13;;;;;/h1-8,11-12H2;5*1H2
InChIKeyIOOPIIIKRVNYRZ-UHFFFAOYSA-N
XLogP-2.77
TPSA226.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

16-aminohexadecanamide
CID 86033165
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
5-aminopentanamide;ethane
CID 145257040
heptanedioic acid;hexane-1,6-diamine
CID 174639050
dodec-11-ene-1,11-diamine
CID 88786698
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
12-aminododecanoic acid;hydrochloride
CID 12651573
octatriacontane-1,38-diamine
CID 54235792
6-aminohexanoic acid;zinc
CID 175049463
7-amino-1-hydroxyheptan-2-one
CID 58492627

Frequently Asked Questions

What is the IUPAC name of 2,10-diaminodec-1-en-1-one;pentahydrate?
The IUPAC name of 2,10-diaminodec-1-en-1-one;pentahydrate (CID 176520266) is 2,10-diaminodec-1-en-1-one;pentahydrate.
What is the SMILES notation for 2,10-diaminodec-1-en-1-one;pentahydrate?
The canonical SMILES for 2,10-diaminodec-1-en-1-one;pentahydrate is NCCCCCCCCC(N)=C=O.O.O.O.O.O.
What is the InChIKey of 2,10-diaminodec-1-en-1-one;pentahydrate?
The InChIKey is IOOPIIIKRVNYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.5H2O/c11-8-6-4-2-1-3-5-7-10(12)9-13;;;;;/h1-8,11-12H2;5*1H2.
What are the key properties of 2,10-diaminodec-1-en-1-one;pentahydrate?
2,10-diaminodec-1-en-1-one;pentahydrate has a molecular weight of 274.36 g/mol, XLogP of -2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diaminodec-1-en-1-one;pentahydrate is sourced from PubChem (CID 176520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).