5-[1-(methylamino)ethenylamino]pentanal

C8H16N2O — CID 144819749

IUPAC5-[1-(methylamino)ethenylamino]pentanal
SMILESC=C(NC)NCCCCC=O
InChIInChI=1S/C8H16N2O/c1-8(9-2)10-6-4-3-5-7-11/h7,9-10H,1,3-6H2,2H3
InChIKeyASQGUGJNXABLSB-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.64
Rot. Bonds7

About 5-[1-(methylamino)ethenylamino]pentanal

5-[1-(methylamino)ethenylamino]pentanal (PubChem CID 144819749) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-[1-(methylamino)ethenylamino]pentanal.

Molecular Properties

Compound Name5-[1-(methylamino)ethenylamino]pentanal
PubChem CID144819749
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-[1-(methylamino)ethenylamino]pentanal
SMILESC=C(NC)NCCCCC=O
InChIInChI=1S/C8H16N2O/c1-8(9-2)10-6-4-3-5-7-11/h7,9-10H,1,3-6H2,2H3
InChIKeyASQGUGJNXABLSB-UHFFFAOYSA-N
XLogP0.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-butyl-1-N-methylethene-1,1-diamine;methane
CID 159003501
20-(methylamino)icosanal
CID 177224793
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
6-oxo-N-pentylhexanamide
CID 90124095
heptanal;hexylcarbamic acid
CID 158316661
ethyl N-(5-oxopentyl)carbamate
CID 58601506
N-(5-oxopentyl)prop-2-ynamide
CID 166777638
14-oxo-N-pentadecyltetradecanamide
CID 90756507
1-hex-5-enyl-3-methylurea
CID 171623663
N-methyl-18-oxooctadecanamide
CID 145081820

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethenylamino]pentanal?
The IUPAC name of 5-[1-(methylamino)ethenylamino]pentanal (CID 144819749) is 5-[1-(methylamino)ethenylamino]pentanal.
What is the SMILES notation for 5-[1-(methylamino)ethenylamino]pentanal?
The canonical SMILES for 5-[1-(methylamino)ethenylamino]pentanal is C=C(NC)NCCCCC=O.
What is the InChIKey of 5-[1-(methylamino)ethenylamino]pentanal?
The InChIKey is ASQGUGJNXABLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(9-2)10-6-4-3-5-7-11/h7,9-10H,1,3-6H2,2H3.
What are the key properties of 5-[1-(methylamino)ethenylamino]pentanal?
5-[1-(methylamino)ethenylamino]pentanal has a molecular weight of 156.23 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethenylamino]pentanal is sourced from PubChem (CID 144819749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).