N-nonan-4-ylformamide

C10H21NO — CID 144801924

IUPACN-nonan-4-ylformamide
SMILESCCCCCC(CCC)NC=O
InChIInChI=1S/C10H21NO/c1-3-5-6-8-10(7-4-2)11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyMTGMXBLPDSSGKI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.48
Rot. Bonds8

About N-nonan-4-ylformamide

N-nonan-4-ylformamide (PubChem CID 144801924) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-nonan-4-ylformamide.

Molecular Properties

Compound NameN-nonan-4-ylformamide
PubChem CID144801924
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-nonan-4-ylformamide
SMILESCCCCCC(CCC)NC=O
InChIInChI=1S/C10H21NO/c1-3-5-6-8-10(7-4-2)11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyMTGMXBLPDSSGKI-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-octan-4-ylformamide
CID 22178839
N-heptan-4-ylformamide
CID 14473374
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-ethenylnonan-4-amine
CID 154960138
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-[(2R)-octan-2-yl]formamide
CID 5478865
N-(1-hydroxyhexyl)formamide
CID 54387531
N-(2-formamidopentyl)formamide
CID 174514121
N-(1-methoxypentan-2-yl)formamide
CID 64991687
S-(decan-5-ylamino) methanethioate
CID 173065746

Frequently Asked Questions

What is the IUPAC name of N-nonan-4-ylformamide?
The IUPAC name of N-nonan-4-ylformamide (CID 144801924) is N-nonan-4-ylformamide.
What is the SMILES notation for N-nonan-4-ylformamide?
The canonical SMILES for N-nonan-4-ylformamide is CCCCCC(CCC)NC=O.
What is the InChIKey of N-nonan-4-ylformamide?
The InChIKey is MTGMXBLPDSSGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-8-10(7-4-2)11-9-12/h9-10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-nonan-4-ylformamide?
N-nonan-4-ylformamide has a molecular weight of 171.28 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-4-ylformamide is sourced from PubChem (CID 144801924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).