1-amino-7-methylnonan-5-one

C10H21NO — CID 116571906

IUPAC1-amino-7-methylnonan-5-one
SMILESCCC(C)CC(=O)CCCCN
InChIInChI=1S/C10H21NO/c1-3-9(2)8-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyGKOUMZOLMHNBNG-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds7

About 1-amino-7-methylnonan-5-one

1-amino-7-methylnonan-5-one (PubChem CID 116571906) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-amino-7-methylnonan-5-one.

Molecular Properties

Compound Name1-amino-7-methylnonan-5-one
PubChem CID116571906
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-amino-7-methylnonan-5-one
SMILESCCC(C)CC(=O)CCCCN
InChIInChI=1S/C10H21NO/c1-3-9(2)8-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3
InChIKeyGKOUMZOLMHNBNG-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-methyl-3-[3-(methylamino)propyl]hexan-2-one
CID 58143621
8-Aminooctan-4-one
CID 25202393
5-Ketooctylamine
CID 25202394
7-Amino-4,4-difluoro-2-methylheptan-3-one
CID 138747779
(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
CID 163483566
1-Acetyl-3-aminopropyl-4-aminobutanal
CID 129661495
N-isovaleroylnonylamine
CID 129775795
3-(Aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one
CID 116573999
6-(Aminomethyl)-1,1,1-trifluorononan-5-one
CID 116574591
5-(Aminomethyl)-1,1,1-trifluorooctan-4-one
CID 116574650
3-(Aminomethyl)-8,8,8-trifluorooctan-4-one
CID 116575195
7-(Aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one
CID 116576952

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylnonan-5-one?
The IUPAC name of 1-amino-7-methylnonan-5-one (CID 116571906) is 1-amino-7-methylnonan-5-one.
What is the SMILES notation for 1-amino-7-methylnonan-5-one?
The canonical SMILES for 1-amino-7-methylnonan-5-one is CCC(C)CC(=O)CCCCN.
What is the InChIKey of 1-amino-7-methylnonan-5-one?
The InChIKey is GKOUMZOLMHNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)8-10(12)6-4-5-7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 1-amino-7-methylnonan-5-one?
1-amino-7-methylnonan-5-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylnonan-5-one is sourced from PubChem (CID 116571906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).