2-aminooctan-4-one

C8H17NO — CID 116555826

IUPAC2-aminooctan-4-one
SMILESCCCCC(=O)CC(C)N
InChIInChI=1S/C8H17NO/c1-3-4-5-8(10)6-7(2)9/h7H,3-6,9H2,1-2H3
InChIKeyTYTQEZBNVZNNAQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.48
Rot. Bonds5

About 2-aminooctan-4-one

2-aminooctan-4-one (PubChem CID 116555826) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-aminooctan-4-one.

Molecular Properties

Compound Name2-aminooctan-4-one
PubChem CID116555826
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-aminooctan-4-one
SMILESCCCCC(=O)CC(C)N
InChIInChI=1S/C8H17NO/c1-3-4-5-8(10)6-7(2)9/h7H,3-6,9H2,1-2H3
InChIKeyTYTQEZBNVZNNAQ-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-ethylsulfonylheptan-4-one
CID 116555907
2-amino-7-methyloctan-4-one
CID 116555796
2-aminoundecan-6-one
CID 116610207
2-methylhexadecan-4-one
CID 63411798
2-propylsulfanyloctan-4-one
CID 88902639
1,1-dimethoxyheptan-3-one
CID 10397274
2-hydroxyundecan-4-one
CID 57218315
10,10-diaminodecan-5-one
CID 87142350
4-aminotridecan-6-one
CID 116607784
19-aminooctatriacontane-18,21-dione
CID 163964320
ethyl 2-chloro-4-oxooctanoate
CID 87728397
7-methyldec-8-en-5-one
CID 71382182

Frequently Asked Questions

What is the IUPAC name of 2-aminooctan-4-one?
The IUPAC name of 2-aminooctan-4-one (CID 116555826) is 2-aminooctan-4-one.
What is the SMILES notation for 2-aminooctan-4-one?
The canonical SMILES for 2-aminooctan-4-one is CCCCC(=O)CC(C)N.
What is the InChIKey of 2-aminooctan-4-one?
The InChIKey is TYTQEZBNVZNNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-8(10)6-7(2)9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-aminooctan-4-one?
2-aminooctan-4-one has a molecular weight of 143.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooctan-4-one is sourced from PubChem (CID 116555826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).