1,2-diamino-6-ethyl-8-methylnonan-3-one

C12H26N2O — CID 159924364

IUPAC1,2-diamino-6-ethyl-8-methylnonan-3-one
SMILESCCC(CCC(=O)C(N)CN)CC(C)C
InChIInChI=1S/C12H26N2O/c1-4-10(7-9(2)3)5-6-12(15)11(14)8-13/h9-11H,4-8,13-14H2,1-3H3
InChIKeyQUPKAIFCSFPLHO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.69
Rot. Bonds8

About 1,2-diamino-6-ethyl-8-methylnonan-3-one

1,2-diamino-6-ethyl-8-methylnonan-3-one (PubChem CID 159924364) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,2-diamino-6-ethyl-8-methylnonan-3-one.

Molecular Properties

Compound Name1,2-diamino-6-ethyl-8-methylnonan-3-one
PubChem CID159924364
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,2-diamino-6-ethyl-8-methylnonan-3-one
SMILESCCC(CCC(=O)C(N)CN)CC(C)C
InChIInChI=1S/C12H26N2O/c1-4-10(7-9(2)3)5-6-12(15)11(14)8-13/h9-11H,4-8,13-14H2,1-3H3
InChIKeyQUPKAIFCSFPLHO-UHFFFAOYSA-N
XLogP1.69
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-6-ethyl-8-methylnonan-3-one?
The IUPAC name of 1,2-diamino-6-ethyl-8-methylnonan-3-one (CID 159924364) is 1,2-diamino-6-ethyl-8-methylnonan-3-one.
What is the SMILES notation for 1,2-diamino-6-ethyl-8-methylnonan-3-one?
The canonical SMILES for 1,2-diamino-6-ethyl-8-methylnonan-3-one is CCC(CCC(=O)C(N)CN)CC(C)C.
What is the InChIKey of 1,2-diamino-6-ethyl-8-methylnonan-3-one?
The InChIKey is QUPKAIFCSFPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(7-9(2)3)5-6-12(15)11(14)8-13/h9-11H,4-8,13-14H2,1-3H3.
What are the key properties of 1,2-diamino-6-ethyl-8-methylnonan-3-one?
1,2-diamino-6-ethyl-8-methylnonan-3-one has a molecular weight of 214.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-6-ethyl-8-methylnonan-3-one is sourced from PubChem (CID 159924364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).