N-methylpropan-1-amine;6-oxoheptanamide

C11H24N2O2 — CID 142298315

IUPACN-methylpropan-1-amine;6-oxoheptanamide
SMILESCC(=O)CCCCC(N)=O.CCCNC
InChIInChI=1S/C7H13NO2.C4H11N/c1-6(9)4-2-3-5-7(8)10;1-3-4-5-2/h2-5H2,1H3,(H2,8,10);5H,3-4H2,1-2H3
InChIKeyMPLHEWQSIIRHOU-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.24
Rot. Bonds7

About N-methylpropan-1-amine;6-oxoheptanamide

N-methylpropan-1-amine;6-oxoheptanamide (PubChem CID 142298315) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-methylpropan-1-amine;6-oxoheptanamide.

Molecular Properties

Compound NameN-methylpropan-1-amine;6-oxoheptanamide
PubChem CID142298315
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-methylpropan-1-amine;6-oxoheptanamide
SMILESCC(=O)CCCCC(N)=O.CCCNC
InChIInChI=1S/C7H13NO2.C4H11N/c1-6(9)4-2-3-5-7(8)10;1-3-4-5-2/h2-5H2,1H3,(H2,8,10);5H,3-4H2,1-2H3
InChIKeyMPLHEWQSIIRHOU-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methylpropan-1-amine;6-oxoheptanamide 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

13-(methylamino)tridecan-2-one
CID 23382037
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;7-(methylamino)heptan-2-one
CID 176694896
butanamide;hexan-2-one;propane
CID 145305673
ethyl 5-(methylamino)pentanoate;ethyl 6-oxoheptanoate
CID 160861105
dodecanamide;N-methylmethanamine
CID 159337435
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
4-(propylamino)butanamide
CID 21468794
12-oxo-N-propyltridecanamide
CID 135223938
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
dodecanamide;N-propylhydroxylamine
CID 175694166
N-methyldodecan-1-amine;octadec-9-enamide
CID 173334466

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-1-amine;6-oxoheptanamide?
The IUPAC name of N-methylpropan-1-amine;6-oxoheptanamide (CID 142298315) is N-methylpropan-1-amine;6-oxoheptanamide.
What is the SMILES notation for N-methylpropan-1-amine;6-oxoheptanamide?
The canonical SMILES for N-methylpropan-1-amine;6-oxoheptanamide is CC(=O)CCCCC(N)=O.CCCNC.
What is the InChIKey of N-methylpropan-1-amine;6-oxoheptanamide?
The InChIKey is MPLHEWQSIIRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C4H11N/c1-6(9)4-2-3-5-7(8)10;1-3-4-5-2/h2-5H2,1H3,(H2,8,10);5H,3-4H2,1-2H3.
What are the key properties of N-methylpropan-1-amine;6-oxoheptanamide?
N-methylpropan-1-amine;6-oxoheptanamide has a molecular weight of 216.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-1-amine;6-oxoheptanamide is sourced from PubChem (CID 142298315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).