N-methylmethanamine;octan-3-one

C10H23NO — CID 174828538

IUPACN-methylmethanamine;octan-3-one
SMILESCCCCCC(=O)CC.CNC
InChIInChI=1S/C8H16O.C2H7N/c1-3-5-6-7-8(9)4-2;1-3-2/h3-7H2,1-2H3;3H,1-2H3
InChIKeyHTMCJKLCTUJAHZ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.38
Rot. Bonds5

About N-methylmethanamine;octan-3-one

N-methylmethanamine;octan-3-one (PubChem CID 174828538) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-methylmethanamine;octan-3-one.

Molecular Properties

Compound NameN-methylmethanamine;octan-3-one
PubChem CID174828538
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-methylmethanamine;octan-3-one
SMILESCCCCCC(=O)CC.CNC
InChIInChI=1S/C8H16O.C2H7N/c1-3-5-6-7-8(9)4-2;1-3-2/h3-7H2,1-2H3;3H,1-2H3
InChIKeyHTMCJKLCTUJAHZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methylmethanamine;octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetracosane-3,13-dione
CID 143607999
decan-3-one;hydrochloride
CID 22446547
hexadecane-3,6-dione
CID 154449726
dodecane-3,5,7-trione
CID 176730741
tetradecane-3,5-dione
CID 140998856
decan-4-one;heptan-3-one
CID 158463149
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
methane;undecane-3,9-dione
CID 158816586
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;octan-3-one?
The IUPAC name of N-methylmethanamine;octan-3-one (CID 174828538) is N-methylmethanamine;octan-3-one.
What is the SMILES notation for N-methylmethanamine;octan-3-one?
The canonical SMILES for N-methylmethanamine;octan-3-one is CCCCCC(=O)CC.CNC.
What is the InChIKey of N-methylmethanamine;octan-3-one?
The InChIKey is HTMCJKLCTUJAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H7N/c1-3-5-6-7-8(9)4-2;1-3-2/h3-7H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;octan-3-one?
N-methylmethanamine;octan-3-one has a molecular weight of 173.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;octan-3-one is sourced from PubChem (CID 174828538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).