N-methylmethanamine;5-oxohexanal

C8H17NO2 — CID 144530013

IUPACN-methylmethanamine;5-oxohexanal
SMILESCC(=O)CCCC=O.CNC
InChIInChI=1S/C6H10O2.C2H7N/c1-6(8)4-2-3-5-7;1-3-2/h5H,2-4H2,1H3;3H,1-2H3
InChIKeyHWNOVTPQUCIPHP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.78
Rot. Bonds4

About N-methylmethanamine;5-oxohexanal

N-methylmethanamine;5-oxohexanal (PubChem CID 144530013) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methylmethanamine;5-oxohexanal.

Molecular Properties

Compound NameN-methylmethanamine;5-oxohexanal
PubChem CID144530013
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-methylmethanamine;5-oxohexanal
SMILESCC(=O)CCCC=O.CNC
InChIInChI=1S/C6H10O2.C2H7N/c1-6(8)4-2-3-5-7;1-3-2/h5H,2-4H2,1H3;3H,1-2H3
InChIKeyHWNOVTPQUCIPHP-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methylmethanamine;5-oxohexanal 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

methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
N-methylethanamine;5-oxopentanamide
CID 143785346
5,6-dimethylhept-5-enal
CID 101258900
N-ethyl-5-oxopentanamide
CID 54062498
N-methyl-18-oxooctadecanamide
CID 145081820
(E)-7-methoxyoct-6-en-2-one
CID 15877252
N-methoxy-5-oxopentanamide
CID 91086399
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
(Z)-non-6-en-2-one
CID 11105450
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;5-oxohexanal?
The IUPAC name of N-methylmethanamine;5-oxohexanal (CID 144530013) is N-methylmethanamine;5-oxohexanal.
What is the SMILES notation for N-methylmethanamine;5-oxohexanal?
The canonical SMILES for N-methylmethanamine;5-oxohexanal is CC(=O)CCCC=O.CNC.
What is the InChIKey of N-methylmethanamine;5-oxohexanal?
The InChIKey is HWNOVTPQUCIPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H7N/c1-6(8)4-2-3-5-7;1-3-2/h5H,2-4H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;5-oxohexanal?
N-methylmethanamine;5-oxohexanal has a molecular weight of 159.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;5-oxohexanal is sourced from PubChem (CID 144530013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).