N-(5-formylnonan-5-yl)formamide

C11H21NO2 — CID 173139788

IUPACN-(5-formylnonan-5-yl)formamide
SMILESCCCCC(C=O)(CCCC)NC=O
InChIInChI=1S/C11H21NO2/c1-3-5-7-11(9-13,12-10-14)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,12,14)
InChIKeyQOFOVTOFMBOEGV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.05
Rot. Bonds9

About N-(5-formylnonan-5-yl)formamide

N-(5-formylnonan-5-yl)formamide (PubChem CID 173139788) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-formylnonan-5-yl)formamide.

Molecular Properties

Compound NameN-(5-formylnonan-5-yl)formamide
PubChem CID173139788
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-formylnonan-5-yl)formamide
SMILESCCCCC(C=O)(CCCC)NC=O
InChIInChI=1S/C11H21NO2/c1-3-5-7-11(9-13,12-10-14)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,12,14)
InChIKeyQOFOVTOFMBOEGV-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-formamidohexanoic acid
CID 121217700
2,2-dibutylpropanedial
CID 15324202
N-(4-methylheptan-4-yl)formamide
CID 54483706
CID 59070082
CID 59070082
2-methyl-2-sulfanylhexanal
CID 88843028
(2R)-2-amino-2-methylhexanal
CID 144823365
2-butyl-2-methoxypropanedial
CID 141040124
2-amino-2-ethylhexanal
CID 89415395
(2S)-2-(hydroxymethyl)-2-(methylamino)butanal
CID 166895156
N-(9,10-dimethyltricosan-9-yl)formamide
CID 54502764
2-butyl-2-[1-[methyl(6-oxohexyl)amino]ethenylamino]hexanal;methanol
CID 145460624
ethane;N-methylformamide;octane
CID 164590964

Frequently Asked Questions

What is the IUPAC name of N-(5-formylnonan-5-yl)formamide?
The IUPAC name of N-(5-formylnonan-5-yl)formamide (CID 173139788) is N-(5-formylnonan-5-yl)formamide.
What is the SMILES notation for N-(5-formylnonan-5-yl)formamide?
The canonical SMILES for N-(5-formylnonan-5-yl)formamide is CCCCC(C=O)(CCCC)NC=O.
What is the InChIKey of N-(5-formylnonan-5-yl)formamide?
The InChIKey is QOFOVTOFMBOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-7-11(9-13,12-10-14)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(5-formylnonan-5-yl)formamide?
N-(5-formylnonan-5-yl)formamide has a molecular weight of 199.29 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formylnonan-5-yl)formamide is sourced from PubChem (CID 173139788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).