7-amino-4-methylundecan-6-one

C12H25NO — CID 116556730

IUPAC7-amino-4-methylundecan-6-one
SMILESCCCCC(N)C(=O)CC(C)CCC
InChIInChI=1S/C12H25NO/c1-4-6-8-11(13)12(14)9-10(3)7-5-2/h10-11H,4-9,13H2,1-3H3
InChIKeyRBCWDGKAZSVNJU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds8

About 7-amino-4-methylundecan-6-one

7-amino-4-methylundecan-6-one (PubChem CID 116556730) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 7-amino-4-methylundecan-6-one.

Molecular Properties

Compound Name7-amino-4-methylundecan-6-one
PubChem CID116556730
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name7-amino-4-methylundecan-6-one
SMILESCCCCC(N)C(=O)CC(C)CCC
InChIInChI=1S/C12H25NO/c1-4-6-8-11(13)12(14)9-10(3)7-5-2/h10-11H,4-9,13H2,1-3H3
InChIKeyRBCWDGKAZSVNJU-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-methoxy-7-methyldecan-5-one
CID 116593750
6-amino-3-methylnonan-5-one
CID 116554552
6-amino-2-methyldecan-5-one
CID 116556613
11-amino-4,7-dimethyldodecan-6-one
CID 116574232
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
1,1-difluoro-4-methylheptan-2-one
CID 112574315
3-methylhexanoate
CID 22322574
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
5-methyl-2-(methylamino)octan-3-one
CID 116564979
3-amino-6-ethyl-1-methylsulfonyldecan-4-one
CID 116551854
ethyl 2-aminohexanoate;hydrochloride
CID 18387178

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylundecan-6-one?
The IUPAC name of 7-amino-4-methylundecan-6-one (CID 116556730) is 7-amino-4-methylundecan-6-one.
What is the SMILES notation for 7-amino-4-methylundecan-6-one?
The canonical SMILES for 7-amino-4-methylundecan-6-one is CCCCC(N)C(=O)CC(C)CCC.
What is the InChIKey of 7-amino-4-methylundecan-6-one?
The InChIKey is RBCWDGKAZSVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-8-11(13)12(14)9-10(3)7-5-2/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 7-amino-4-methylundecan-6-one?
7-amino-4-methylundecan-6-one has a molecular weight of 199.34 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylundecan-6-one is sourced from PubChem (CID 116556730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).