7-(aminomethyl)-2,2-dimethylnonan-5-one

C12H25NO — CID 116596157

IUPAC7-(aminomethyl)-2,2-dimethylnonan-5-one
SMILESCCC(CN)CC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-10(9-13)8-11(14)6-7-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyMZSCJJNALJJFAG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.76
Rot. Bonds6

About 7-(aminomethyl)-2,2-dimethylnonan-5-one

7-(aminomethyl)-2,2-dimethylnonan-5-one (PubChem CID 116596157) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 7-(aminomethyl)-2,2-dimethylnonan-5-one.

Molecular Properties

Compound Name7-(aminomethyl)-2,2-dimethylnonan-5-one
PubChem CID116596157
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name7-(aminomethyl)-2,2-dimethylnonan-5-one
SMILESCCC(CN)CC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-10(9-13)8-11(14)6-7-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKeyMZSCJJNALJJFAG-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-1-ethylsulfonylheptan-3-one
CID 106736726
5-(aminomethyl)-1-methylsulfonylheptan-3-one
CID 116596376
6-(aminomethyl)-1-ethylsulfonyloctan-4-one
CID 116596279
2,7,7-trimethyloctan-4-one
CID 62619842
6-(aminomethyl)-2-methyloct-1-en-4-one
CID 116596361
1-amino-7-ethyl-2-methylnonan-5-one
CID 116607621
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116577005
4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
CID 116596211
3-(aminomethyl)-7-methylidenenonan-5-one
CID 116596430
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
11-amino-3-ethylundecan-5-one
CID 116551553

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2,2-dimethylnonan-5-one?
The IUPAC name of 7-(aminomethyl)-2,2-dimethylnonan-5-one (CID 116596157) is 7-(aminomethyl)-2,2-dimethylnonan-5-one.
What is the SMILES notation for 7-(aminomethyl)-2,2-dimethylnonan-5-one?
The canonical SMILES for 7-(aminomethyl)-2,2-dimethylnonan-5-one is CCC(CN)CC(=O)CCC(C)(C)C.
What is the InChIKey of 7-(aminomethyl)-2,2-dimethylnonan-5-one?
The InChIKey is MZSCJJNALJJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-10(9-13)8-11(14)6-7-12(2,3)4/h10H,5-9,13H2,1-4H3.
What are the key properties of 7-(aminomethyl)-2,2-dimethylnonan-5-one?
7-(aminomethyl)-2,2-dimethylnonan-5-one has a molecular weight of 199.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2,2-dimethylnonan-5-one is sourced from PubChem (CID 116596157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).