6-(methylamino)hex-4-ynal

C7H11NO — CID 173183553

IUPAC6-(methylamino)hex-4-ynal
SMILESCNCC#CCCC=O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7-9/h7-8H,3,5-6H2,1H3
InChIKeyPLDUKEUPSCHTMF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds3

About 6-(methylamino)hex-4-ynal

6-(methylamino)hex-4-ynal (PubChem CID 173183553) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-(methylamino)hex-4-ynal.

Molecular Properties

Compound Name6-(methylamino)hex-4-ynal
PubChem CID173183553
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-(methylamino)hex-4-ynal
SMILESCNCC#CCCC=O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7-9/h7-8H,3,5-6H2,1H3
InChIKeyPLDUKEUPSCHTMF-UHFFFAOYSA-N
XLogP0.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(methylamino)hex-4-ynal 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

6-trimethylsilylhex-4-ynal
CID 10986668
pentadec-4-ynal
CID 15530597
methyl 12-oxododec-8-ynoate
CID 131858509
octadec-6-ynal
CID 87656650
20-(methylamino)icosanal
CID 177224793
3-methoxypropanal;titanium
CID 87154259
ethane;8-(methylamino)octanal
CID 164864481
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
ethane;9-(methylamino)nonanal
CID 164864319
N-methylethanamine;5-oxopentanamide
CID 143785346
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)hex-4-ynal?
The IUPAC name of 6-(methylamino)hex-4-ynal (CID 173183553) is 6-(methylamino)hex-4-ynal.
What is the SMILES notation for 6-(methylamino)hex-4-ynal?
The canonical SMILES for 6-(methylamino)hex-4-ynal is CNCC#CCCC=O.
What is the InChIKey of 6-(methylamino)hex-4-ynal?
The InChIKey is PLDUKEUPSCHTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-4-2-3-5-7-9/h7-8H,3,5-6H2,1H3.
What are the key properties of 6-(methylamino)hex-4-ynal?
6-(methylamino)hex-4-ynal has a molecular weight of 125.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)hex-4-ynal is sourced from PubChem (CID 173183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).