N-heptan-4-ylformamide

C8H17NO — CID 14473374

IUPACN-heptan-4-ylformamide
SMILESCCCC(CCC)NC=O
InChIInChI=1S/C8H17NO/c1-3-5-8(6-4-2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)
InChIKeyYOZPRRXEJAJKDM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds6

About N-heptan-4-ylformamide

N-heptan-4-ylformamide (PubChem CID 14473374) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-heptan-4-ylformamide.

Molecular Properties

Compound NameN-heptan-4-ylformamide
PubChem CID14473374
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-heptan-4-ylformamide
SMILESCCCC(CCC)NC=O
InChIInChI=1S/C8H17NO/c1-3-5-8(6-4-2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)
InChIKeyYOZPRRXEJAJKDM-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octan-4-ylformamide
CID 22178839
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
N-nonan-4-ylformamide
CID 144801924
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-(2-formamidopentyl)formamide
CID 174514121
N-(1-methoxypentan-2-yl)formamide
CID 64991687
N-(1-phenylpentan-2-yl)formamide
CID 87974467
N-(3-ethylhexan-2-yl)formamide
CID 154666034
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-(2,2-dimethylhexan-3-yl)formamide
CID 173284826
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-[1-(methylamino)pentan-3-yl]formamide
CID 143111562

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-ylformamide?
The IUPAC name of N-heptan-4-ylformamide (CID 14473374) is N-heptan-4-ylformamide.
What is the SMILES notation for N-heptan-4-ylformamide?
The canonical SMILES for N-heptan-4-ylformamide is CCCC(CCC)NC=O.
What is the InChIKey of N-heptan-4-ylformamide?
The InChIKey is YOZPRRXEJAJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(6-4-2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-heptan-4-ylformamide?
N-heptan-4-ylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-ylformamide is sourced from PubChem (CID 14473374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).