N-ethyl-N-heptylformamide

C10H21NO — CID 14151223

IUPACN-ethyl-N-heptylformamide
SMILESCCCCCCCN(C=O)CC
InChIInChI=1S/C10H21NO/c1-3-5-6-7-8-9-11(4-2)10-12/h10H,3-9H2,1-2H3
InChIKeyGRKXZLLJAGGTOU-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.44
Rot. Bonds8

About N-ethyl-N-heptylformamide

N-ethyl-N-heptylformamide (PubChem CID 14151223) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-N-heptylformamide.

Molecular Properties

Compound NameN-ethyl-N-heptylformamide
PubChem CID14151223
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-N-heptylformamide
SMILESCCCCCCCN(C=O)CC
InChIInChI=1S/C10H21NO/c1-3-5-6-7-8-9-11(4-2)10-12/h10H,3-9H2,1-2H3
InChIKeyGRKXZLLJAGGTOU-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-heptylformamide?
The IUPAC name of N-ethyl-N-heptylformamide (CID 14151223) is N-ethyl-N-heptylformamide.
What is the SMILES notation for N-ethyl-N-heptylformamide?
The canonical SMILES for N-ethyl-N-heptylformamide is CCCCCCCN(C=O)CC.
What is the InChIKey of N-ethyl-N-heptylformamide?
The InChIKey is GRKXZLLJAGGTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-7-8-9-11(4-2)10-12/h10H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-heptylformamide?
N-ethyl-N-heptylformamide has a molecular weight of 171.28 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptylformamide is sourced from PubChem (CID 14151223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).