7-amino-1,2-dihydroxyheptan-4-one;azane

C7H18N2O3 — CID 19354209

IUPAC7-amino-1,2-dihydroxyheptan-4-one;azane
SMILESN.NCCCC(=O)CC(O)CO
InChIInChI=1S/C7H15NO3.H3N/c8-3-1-2-6(10)4-7(11)5-9;/h7,9,11H,1-5,8H2;1H3
InChIKeyRVFUMGDWADSYAA-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.80
Rot. Bonds6

About 7-amino-1,2-dihydroxyheptan-4-one;azane

7-amino-1,2-dihydroxyheptan-4-one;azane (PubChem CID 19354209) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-amino-1,2-dihydroxyheptan-4-one;azane.

Molecular Properties

Compound Name7-amino-1,2-dihydroxyheptan-4-one;azane
PubChem CID19354209
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name7-amino-1,2-dihydroxyheptan-4-one;azane
SMILESN.NCCCC(=O)CC(O)CO
InChIInChI=1S/C7H15NO3.H3N/c8-3-1-2-6(10)4-7(11)5-9;/h7,9,11H,1-5,8H2;1H3
InChIKeyRVFUMGDWADSYAA-UHFFFAOYSA-N
XLogP-0.80
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-aminobutanoic acid;propane-1,2,3-triol
CID 175213071
1,2-dihydroxyhexacosan-4-one;hydrate
CID 141328016
10-amino-2-methyldecan-4-one
CID 116551412
7-amino-1-hydroxyheptan-2-one
CID 58492627
5-aminopentane-1,2-diol;hydrochloride
CID 86645443
11-amino-3-ethylundecan-5-one
CID 116551553
1-amino-7-methylnonan-5-one
CID 116571906
hydroxymethyl 3,4-dihydroxybutanoate
CID 174572544
3-(2,3-dihydroxypropyl)nonane-2,5-dione
CID 90945185
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one
CID 171935199
butan-1-amine;propane-1,2,3-triol;hydrobromide
CID 174855809

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,2-dihydroxyheptan-4-one;azane?
The IUPAC name of 7-amino-1,2-dihydroxyheptan-4-one;azane (CID 19354209) is 7-amino-1,2-dihydroxyheptan-4-one;azane.
What is the SMILES notation for 7-amino-1,2-dihydroxyheptan-4-one;azane?
The canonical SMILES for 7-amino-1,2-dihydroxyheptan-4-one;azane is N.NCCCC(=O)CC(O)CO.
What is the InChIKey of 7-amino-1,2-dihydroxyheptan-4-one;azane?
The InChIKey is RVFUMGDWADSYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.H3N/c8-3-1-2-6(10)4-7(11)5-9;/h7,9,11H,1-5,8H2;1H3.
What are the key properties of 7-amino-1,2-dihydroxyheptan-4-one;azane?
7-amino-1,2-dihydroxyheptan-4-one;azane has a molecular weight of 178.23 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,2-dihydroxyheptan-4-one;azane is sourced from PubChem (CID 19354209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).