N-ethyl-N-hexylformamide

C9H19NO — CID 54565973

IUPACN-ethyl-N-hexylformamide
SMILESCCCCCCN(C=O)CC
InChIInChI=1S/C9H19NO/c1-3-5-6-7-8-10(4-2)9-11/h9H,3-8H2,1-2H3
InChIKeyFUDDYHQTVSFRIG-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds7

About N-ethyl-N-hexylformamide

N-ethyl-N-hexylformamide (PubChem CID 54565973) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-hexylformamide.

Molecular Properties

Compound NameN-ethyl-N-hexylformamide
PubChem CID54565973
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-hexylformamide
SMILESCCCCCCN(C=O)CC
InChIInChI=1S/C9H19NO/c1-3-5-6-7-8-10(4-2)9-11/h9H,3-8H2,1-2H3
InChIKeyFUDDYHQTVSFRIG-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.05
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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Related Compounds

N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-butyl-N-octadecylformamide
CID 54030417
N-(5-aminopentyl)-N-ethylformamide
CID 155337011
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
N,N-dimethylformamide;dodecane
CID 174900991
N-methyl-N-tetradecylformamide
CID 10422507
(E)-3-(dioctylamino)prop-2-enal
CID 134949607
N-methyl-N-pentylformamide
CID 22754748
2-[butyl(formyl)amino]ethylmercury
CID 142121724
disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
CID 175796205
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexylformamide?
The IUPAC name of N-ethyl-N-hexylformamide (CID 54565973) is N-ethyl-N-hexylformamide.
What is the SMILES notation for N-ethyl-N-hexylformamide?
The canonical SMILES for N-ethyl-N-hexylformamide is CCCCCCN(C=O)CC.
What is the InChIKey of N-ethyl-N-hexylformamide?
The InChIKey is FUDDYHQTVSFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-7-8-10(4-2)9-11/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-hexylformamide?
N-ethyl-N-hexylformamide has a molecular weight of 157.26 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexylformamide is sourced from PubChem (CID 54565973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).