2-fluoro-N'-heptan-4-ylethanimidamide

C9H19FN2 — CID 138502589

IUPAC2-fluoro-N'-heptan-4-ylethanimidamide
SMILESCCCC(CCC)/N=C(/N)CF
InChIInChI=1S/C9H19FN2/c1-3-5-8(6-4-2)12-9(11)7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyFSLPTOKEEVAQIH-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.28
Rot. Bonds6

About 2-fluoro-N'-heptan-4-ylethanimidamide

2-fluoro-N'-heptan-4-ylethanimidamide (PubChem CID 138502589) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-fluoro-N'-heptan-4-ylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-heptan-4-ylethanimidamide
PubChem CID138502589
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-fluoro-N'-heptan-4-ylethanimidamide
SMILESCCCC(CCC)/N=C(/N)CF
InChIInChI=1S/C9H19FN2/c1-3-5-8(6-4-2)12-9(11)7-10/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyFSLPTOKEEVAQIH-UHFFFAOYSA-N
XLogP2.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-Butylhexahydro-1h-azepin-2-imine
CID 10104379
6-Propyl-piperidin-(2Z)-ylideneamine
CID 10800919
(E)-8-Propyl-3,4,5,6,7,8-hexahydro-azocin-2-ylamine
CID 44341212
N'-cyclohexylethanimidamide
CID 46933835
7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10104005
N'-(5-aminoheptyl)ethanimidamide
CID 15896142
2H-Azepin-7-amine, 2-ethyl-3,4,5,6-tetrahydro-
CID 18428624
N'-(5-aminononyl)ethanimidamide
CID 22133385
2-Heptyl-2,3,4,5-tetrahydropyridin-6-amine
CID 23378573
2-Hexyl-2,3,4,5-tetrahydropyridin-6-amine
CID 23378574
2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 54244779
N'-pentan-2-ylethanimidamide
CID 62049604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-heptan-4-ylethanimidamide?
The IUPAC name of 2-fluoro-N'-heptan-4-ylethanimidamide (CID 138502589) is 2-fluoro-N'-heptan-4-ylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-heptan-4-ylethanimidamide?
The canonical SMILES for 2-fluoro-N'-heptan-4-ylethanimidamide is CCCC(CCC)/N=C(/N)CF.
What is the InChIKey of 2-fluoro-N'-heptan-4-ylethanimidamide?
The InChIKey is FSLPTOKEEVAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-3-5-8(6-4-2)12-9(11)7-10/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-fluoro-N'-heptan-4-ylethanimidamide?
2-fluoro-N'-heptan-4-ylethanimidamide has a molecular weight of 174.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-heptan-4-ylethanimidamide is sourced from PubChem (CID 138502589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).