10-amino-6-methylundecan-5-one

C12H25NO — CID 116574155

IUPAC10-amino-6-methylundecan-5-one
SMILESCCCCC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H25NO/c1-4-5-9-12(14)10(2)7-6-8-11(3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyBZOGHIDFJHUHIF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.90
Rot. Bonds8

About 10-amino-6-methylundecan-5-one

10-amino-6-methylundecan-5-one (PubChem CID 116574155) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 10-amino-6-methylundecan-5-one.

Molecular Properties

Compound Name10-amino-6-methylundecan-5-one
PubChem CID116574155
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name10-amino-6-methylundecan-5-one
SMILESCCCCC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H25NO/c1-4-5-9-12(14)10(2)7-6-8-11(3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyBZOGHIDFJHUHIF-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

(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
11-amino-4,7-dimethyldodecan-6-one
CID 116574232
11-amino-7-methyldodec-2-yn-6-one
CID 116574387
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
bis(hexan-2-amine);oxalic acid
CID 175216358
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
2-aminoundecan-6-one
CID 116610207
bis(hexan-2-amine);hexanedioic acid
CID 174667104
6-amino-2-methyl-N-propylheptanamide
CID 65292773
carbamic acid;undecan-2-amine
CID 175209089
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
5-methyltridecane-2,6-dione
CID 13130352

Frequently Asked Questions

What is the IUPAC name of 10-amino-6-methylundecan-5-one?
The IUPAC name of 10-amino-6-methylundecan-5-one (CID 116574155) is 10-amino-6-methylundecan-5-one.
What is the SMILES notation for 10-amino-6-methylundecan-5-one?
The canonical SMILES for 10-amino-6-methylundecan-5-one is CCCCC(=O)C(C)CCCC(C)N.
What is the InChIKey of 10-amino-6-methylundecan-5-one?
The InChIKey is BZOGHIDFJHUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-9-12(14)10(2)7-6-8-11(3)13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 10-amino-6-methylundecan-5-one?
10-amino-6-methylundecan-5-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 10-amino-6-methylundecan-5-one is sourced from PubChem (CID 116574155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).