methanamine;nonan-4-one

C12H33N3O — CID 174439685

IUPACmethanamine;nonan-4-one
SMILESCCCCCC(=O)CCC.CN.CN.CN
InChIInChI=1S/C9H18O.3CH5N/c1-3-5-6-8-9(10)7-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3
InChIKeyBEAJWDWHPQNHDG-UHFFFAOYSA-N
MW235.42 g/mol
LogP1.66
Rot. Bonds6

About methanamine;nonan-4-one

methanamine;nonan-4-one (PubChem CID 174439685) has the molecular formula C12H33N3O and a molecular weight of 235.42 g/mol. Its IUPAC name is methanamine;nonan-4-one.

Molecular Properties

Compound Namemethanamine;nonan-4-one
PubChem CID174439685
Molecular FormulaC12H33N3O
Molecular Weight235.42 g/mol
Exact Mass235.26
IUPAC Namemethanamine;nonan-4-one
SMILESCCCCCC(=O)CCC.CN.CN.CN
InChIInChI=1S/C9H18O.3CH5N/c1-3-5-6-8-9(10)7-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3
InChIKeyBEAJWDWHPQNHDG-UHFFFAOYSA-N
XLogP1.66
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672
tridecane-4,9-dione
CID 166698782
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
nonatriacontane-8,29-dione
CID 150237018
tridecane-4,10-dione
CID 158766358
pentacosan-7-one
CID 54551687
methanol;octan-4-one
CID 174820687

Frequently Asked Questions

What is the IUPAC name of methanamine;nonan-4-one?
The IUPAC name of methanamine;nonan-4-one (CID 174439685) is methanamine;nonan-4-one.
What is the SMILES notation for methanamine;nonan-4-one?
The canonical SMILES for methanamine;nonan-4-one is CCCCCC(=O)CCC.CN.CN.CN.
What is the InChIKey of methanamine;nonan-4-one?
The InChIKey is BEAJWDWHPQNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.3CH5N/c1-3-5-6-8-9(10)7-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3.
What are the key properties of methanamine;nonan-4-one?
methanamine;nonan-4-one has a molecular weight of 235.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;nonan-4-one is sourced from PubChem (CID 174439685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).