N-methyl-N-(6-oxohexyl)formamide

C8H15NO2 — CID 145135012

IUPACN-methyl-N-(6-oxohexyl)formamide
SMILESCN(C=O)CCCCCC=O
InChIInChI=1S/C8H15NO2/c1-9(8-11)6-4-2-3-5-7-10/h7-8H,2-6H2,1H3
InChIKeyUIGAFHHBNBQDAF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds7

About N-methyl-N-(6-oxohexyl)formamide

N-methyl-N-(6-oxohexyl)formamide (PubChem CID 145135012) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-methyl-N-(6-oxohexyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-oxohexyl)formamide
PubChem CID145135012
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-methyl-N-(6-oxohexyl)formamide
SMILESCN(C=O)CCCCCC=O
InChIInChI=1S/C8H15NO2/c1-9(8-11)6-4-2-3-5-7-10/h7-8H,2-6H2,1H3
InChIKeyUIGAFHHBNBQDAF-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-methyl-N-tetradecylformamide
CID 10422507
6-[methyl(phosphanyl)amino]hexanal
CID 146297565
N-methyl-N-pentylformamide
CID 22754748
pentadecanedial
CID 22887412
5-(didecylamino)pentanal
CID 162037939
2-[methyl(20-oxoicosyl)amino]acetic acid
CID 91508030
N,N-dimethylmethanamine;ethane;octanal
CID 154679924
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
ethane;N-methyl-N-(5-methylhexyl)formamide;1,1,1-trifluoroethane
CID 178007361
N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one
CID 143844745
decanal;decane
CID 157361056
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-oxohexyl)formamide?
The IUPAC name of N-methyl-N-(6-oxohexyl)formamide (CID 145135012) is N-methyl-N-(6-oxohexyl)formamide.
What is the SMILES notation for N-methyl-N-(6-oxohexyl)formamide?
The canonical SMILES for N-methyl-N-(6-oxohexyl)formamide is CN(C=O)CCCCCC=O.
What is the InChIKey of N-methyl-N-(6-oxohexyl)formamide?
The InChIKey is UIGAFHHBNBQDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(8-11)6-4-2-3-5-7-10/h7-8H,2-6H2,1H3.
What are the key properties of N-methyl-N-(6-oxohexyl)formamide?
N-methyl-N-(6-oxohexyl)formamide has a molecular weight of 157.21 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-oxohexyl)formamide is sourced from PubChem (CID 145135012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).