5,9-diaminononan-2-one

C9H20N2O — CID 175346024

IUPAC5,9-diaminononan-2-one
SMILESCC(=O)CCC(N)CCCCN
InChIInChI=1S/C9H20N2O/c1-8(12)5-6-9(11)4-2-3-7-10/h9H,2-7,10-11H2,1H3
InChIKeyCVKFUHSUQYNGJN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.81
Rot. Bonds7

About 5,9-diaminononan-2-one

5,9-diaminononan-2-one (PubChem CID 175346024) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 5,9-diaminononan-2-one.

Molecular Properties

Compound Name5,9-diaminononan-2-one
PubChem CID175346024
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name5,9-diaminononan-2-one
SMILESCC(=O)CCC(N)CCCCN
InChIInChI=1S/C9H20N2O/c1-8(12)5-6-9(11)4-2-3-7-10/h9H,2-7,10-11H2,1H3
InChIKeyCVKFUHSUQYNGJN-UHFFFAOYSA-N
XLogP0.81
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,8,10-triaminodecan-2-one
CID 15920060
4,9-diaminononanoic acid
CID 88791042
pentacosane-1,13,25-triamine
CID 174653759
5-amino-7-hydroxyheptan-2-one
CID 175205558
tert-butyl 4,8-diaminooctanoate
CID 155444691
octane-1,4,8-triamine
CID 18544198
4-aminooctane-2,7-dione
CID 89306348
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
3-amino-4-(4-aminobutyl)hexane-2,5-dione
CID 87488764
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011

Frequently Asked Questions

What is the IUPAC name of 5,9-diaminononan-2-one?
The IUPAC name of 5,9-diaminononan-2-one (CID 175346024) is 5,9-diaminononan-2-one.
What is the SMILES notation for 5,9-diaminononan-2-one?
The canonical SMILES for 5,9-diaminononan-2-one is CC(=O)CCC(N)CCCCN.
What is the InChIKey of 5,9-diaminononan-2-one?
The InChIKey is CVKFUHSUQYNGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)5-6-9(11)4-2-3-7-10/h9H,2-7,10-11H2,1H3.
What are the key properties of 5,9-diaminononan-2-one?
5,9-diaminononan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diaminononan-2-one is sourced from PubChem (CID 175346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).