1-amino-2,2,7-trimethyloctan-3-one

C11H23NO — CID 116600063

IUPAC1-amino-2,2,7-trimethyloctan-3-one
SMILESCC(C)CCCC(=O)C(C)(C)CN
InChIInChI=1S/C11H23NO/c1-9(2)6-5-7-10(13)11(3,4)8-12/h9H,5-8,12H2,1-4H3
InChIKeyYQAYHHVWGVRDAU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.37
Rot. Bonds6

About 1-amino-2,2,7-trimethyloctan-3-one

1-amino-2,2,7-trimethyloctan-3-one (PubChem CID 116600063) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-amino-2,2,7-trimethyloctan-3-one.

Molecular Properties

Compound Name1-amino-2,2,7-trimethyloctan-3-one
PubChem CID116600063
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-amino-2,2,7-trimethyloctan-3-one
SMILESCC(C)CCCC(=O)C(C)(C)CN
InChIInChI=1S/C11H23NO/c1-9(2)6-5-7-10(13)11(3,4)8-12/h9H,5-8,12H2,1-4H3
InChIKeyYQAYHHVWGVRDAU-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-ethyl-8-methylnonan-4-one
CID 116592714
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
2,3,3,10-tetramethylundecan-4-one
CID 161336614
1-amino-3,3,10-trimethylundecan-6-one
CID 116574855
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891
3,3,7-trimethyloctan-2-one
CID 88712465
2-amino-2,6-dimethylheptan-3-one
CID 116560063
methyl 2-(aminomethyl)-2,6-dimethylheptanoate
CID 106487907
1-amino-3,8-dimethylnonan-4-one
CID 116594924
3-(aminomethyl)-2,8-dimethylnonan-4-one
CID 116573959
amino 5-methylhexanoate
CID 18970778

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,7-trimethyloctan-3-one?
The IUPAC name of 1-amino-2,2,7-trimethyloctan-3-one (CID 116600063) is 1-amino-2,2,7-trimethyloctan-3-one.
What is the SMILES notation for 1-amino-2,2,7-trimethyloctan-3-one?
The canonical SMILES for 1-amino-2,2,7-trimethyloctan-3-one is CC(C)CCCC(=O)C(C)(C)CN.
What is the InChIKey of 1-amino-2,2,7-trimethyloctan-3-one?
The InChIKey is YQAYHHVWGVRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)6-5-7-10(13)11(3,4)8-12/h9H,5-8,12H2,1-4H3.
What are the key properties of 1-amino-2,2,7-trimethyloctan-3-one?
1-amino-2,2,7-trimethyloctan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,7-trimethyloctan-3-one is sourced from PubChem (CID 116600063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).