6-aminononan-4-one

C9H19NO — CID 116607782

IUPAC6-aminononan-4-one
SMILESCCCC(=O)CC(N)CCC
InChIInChI=1S/C9H19NO/c1-3-5-8(10)7-9(11)6-4-2/h8H,3-7,10H2,1-2H3
InChIKeyNPOCCWKXTOWOPO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.87
Rot. Bonds6

About 6-aminononan-4-one

6-aminononan-4-one (PubChem CID 116607782) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-aminononan-4-one.

Molecular Properties

Compound Name6-aminononan-4-one
PubChem CID116607782
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-aminononan-4-one
SMILESCCCC(=O)CC(N)CCC
InChIInChI=1S/C9H19NO/c1-3-5-8(10)7-9(11)6-4-2/h8H,3-7,10H2,1-2H3
InChIKeyNPOCCWKXTOWOPO-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-aminooctan-3-one
CID 116607745
4-aminotridecan-6-one
CID 116607784
8-aminoundec-2-yn-6-one
CID 116608034
4-amino-1-methoxyheptan-2-one
CID 116607814
4-aminotridec-12-en-6-one
CID 107010989
6-hydroxynonan-4-one
CID 22287595
3-aminohexanoyl chloride;hydrochloride
CID 174572302
7-amino-1-(oxan-4-yl)decan-5-one
CID 114193631
diethyl 2-(2-oxopentyl)propanedioate
CID 141107198
3-amino-9-methyldecan-5-one
CID 116609077
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
CID 116607768

Frequently Asked Questions

What is the IUPAC name of 6-aminononan-4-one?
The IUPAC name of 6-aminononan-4-one (CID 116607782) is 6-aminononan-4-one.
What is the SMILES notation for 6-aminononan-4-one?
The canonical SMILES for 6-aminononan-4-one is CCCC(=O)CC(N)CCC.
What is the InChIKey of 6-aminononan-4-one?
The InChIKey is NPOCCWKXTOWOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8(10)7-9(11)6-4-2/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-aminononan-4-one?
6-aminononan-4-one has a molecular weight of 157.26 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminononan-4-one is sourced from PubChem (CID 116607782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).