3-amino-9-methyldecan-5-one

C11H23NO — CID 116609077

IUPAC3-amino-9-methyldecan-5-one
SMILESCCC(N)CC(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-4-10(12)8-11(13)7-5-6-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyMOHMFTONHJYXJH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds7

About 3-amino-9-methyldecan-5-one

3-amino-9-methyldecan-5-one (PubChem CID 116609077) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-9-methyldecan-5-one.

Molecular Properties

Compound Name3-amino-9-methyldecan-5-one
PubChem CID116609077
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-9-methyldecan-5-one
SMILESCCC(N)CC(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-4-10(12)8-11(13)7-5-6-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyMOHMFTONHJYXJH-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetramethyl-3-aminoheptan-5-one
CID 116608511
3-Amino-4,4-difluoro-2-methyltridecan-5-one
CID 11615909
4-Amino-6-fluoro-2,6-dimethylheptan-3-one
CID 117813256
4-(Fluoroamino)-2,6-dimethylheptan-3-one
CID 123501856
1-Ethyl-amino-3-nonanone
CID 116609089
N-isovaleroylnonylamine
CID 129775795
2-t-Butyl-aminoethyl ketone
CID 129808133
3-Heptanone, 4-amino-6-methyl-, hydrochloride
CID 134473
3-Amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116549041
6-Amino-1,1,1-trifluoro-8-methylnonan-5-one
CID 116553590
5-Amino-1,1,1-trifluoro-7-methyloctan-4-one
CID 116553640
10-Amino-1,1,1-trifluoro-6-methylundecan-5-one
CID 116574296

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-methyldecan-5-one?
The IUPAC name of 3-amino-9-methyldecan-5-one (CID 116609077) is 3-amino-9-methyldecan-5-one.
What is the SMILES notation for 3-amino-9-methyldecan-5-one?
The canonical SMILES for 3-amino-9-methyldecan-5-one is CCC(N)CC(=O)CCCC(C)C.
What is the InChIKey of 3-amino-9-methyldecan-5-one?
The InChIKey is MOHMFTONHJYXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-10(12)8-11(13)7-5-6-9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-9-methyldecan-5-one?
3-amino-9-methyldecan-5-one has a molecular weight of 185.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-methyldecan-5-one is sourced from PubChem (CID 116609077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).