3-amino-2-methylnon-8-yn-4-one

C10H17NO — CID 116548980

IUPAC3-amino-2-methylnon-8-yn-4-one
SMILESC#CCCCC(=O)C(N)C(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9(12)10(11)8(2)3/h1,8,10H,5-7,11H2,2-3H3
InChIKeyUXHCEMKMYXQFIN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-2-methylnon-8-yn-4-one

3-amino-2-methylnon-8-yn-4-one (PubChem CID 116548980) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-amino-2-methylnon-8-yn-4-one.

Molecular Properties

Compound Name3-amino-2-methylnon-8-yn-4-one
PubChem CID116548980
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-amino-2-methylnon-8-yn-4-one
SMILESC#CCCCC(=O)C(N)C(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9(12)10(11)8(2)3/h1,8,10H,5-7,11H2,2-3H3
InChIKeyUXHCEMKMYXQFIN-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Heptanone, 4-amino-6-methyl-, hydrochloride
CID 134473
5-Amino-7-methyloctan-4-one;hydrochloride
CID 24201280
4-Amino-6-methylheptan-3-one
CID 134474
5-Amino-7-methyloctan-4-one
CID 437072
(3S,6S)-3,6-diamino-2,7-dimethyloctane-4,5-dione
CID 18346207
4,8-Diamino-2-methyloctan-3-one
CID 20612173
4-Amino-2,5-dimethylheptan-3-one
CID 21339059
4-Amino-2,6-dimethylheptan-3-one
CID 21339061
4-Amino-2-methyloctan-3-one
CID 21339064
2-Amino-6-methylheptan-3-one;hydrochloride
CID 22492303
(5S)-5,9-diamino-2-methylnonan-4-one
CID 54186867
(5S,6S)-5-amino-6-methyloctan-4-one
CID 54265477

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylnon-8-yn-4-one?
The IUPAC name of 3-amino-2-methylnon-8-yn-4-one (CID 116548980) is 3-amino-2-methylnon-8-yn-4-one.
What is the SMILES notation for 3-amino-2-methylnon-8-yn-4-one?
The canonical SMILES for 3-amino-2-methylnon-8-yn-4-one is C#CCCCC(=O)C(N)C(C)C.
What is the InChIKey of 3-amino-2-methylnon-8-yn-4-one?
The InChIKey is UXHCEMKMYXQFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-9(12)10(11)8(2)3/h1,8,10H,5-7,11H2,2-3H3.
What are the key properties of 3-amino-2-methylnon-8-yn-4-one?
3-amino-2-methylnon-8-yn-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylnon-8-yn-4-one is sourced from PubChem (CID 116548980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).