1-(methylamino)nonan-3-one

C10H21NO — CID 116561157

IUPAC1-(methylamino)nonan-3-one
SMILESCCCCCCC(=O)CCNC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-10(12)8-9-11-2/h11H,3-9H2,1-2H3
InChIKeyGIGOMVPZHYFMIP-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.14
Rot. Bonds8

About 1-(methylamino)nonan-3-one

1-(methylamino)nonan-3-one (PubChem CID 116561157) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(methylamino)nonan-3-one.

Molecular Properties

Compound Name1-(methylamino)nonan-3-one
PubChem CID116561157
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(methylamino)nonan-3-one
SMILESCCCCCCC(=O)CCNC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-10(12)8-9-11-2/h11H,3-9H2,1-2H3
InChIKeyGIGOMVPZHYFMIP-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.14
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

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
heptacosane-10,12-dione
CID 14235516
icosane-4,15-dione
CID 123287171

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)nonan-3-one?
The IUPAC name of 1-(methylamino)nonan-3-one (CID 116561157) is 1-(methylamino)nonan-3-one.
What is the SMILES notation for 1-(methylamino)nonan-3-one?
The canonical SMILES for 1-(methylamino)nonan-3-one is CCCCCCC(=O)CCNC.
What is the InChIKey of 1-(methylamino)nonan-3-one?
The InChIKey is GIGOMVPZHYFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-10(12)8-9-11-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-(methylamino)nonan-3-one?
1-(methylamino)nonan-3-one has a molecular weight of 171.28 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)nonan-3-one is sourced from PubChem (CID 116561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).