N-(2-fluoropropyl)-N'-methylethanimidamide

C6H13FN2 — CID 134514341

IUPACN-(2-fluoropropyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCC(C)F
InChIInChI=1S/C6H13FN2/c1-5(7)4-9-6(2)8-3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJGXXFQRDDCJVPZ-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.98
Rot. Bonds2

About N-(2-fluoropropyl)-N'-methylethanimidamide

N-(2-fluoropropyl)-N'-methylethanimidamide (PubChem CID 134514341) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N'-methylethanimidamide
PubChem CID134514341
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC NameN-(2-fluoropropyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCC(C)F
InChIInChI=1S/C6H13FN2/c1-5(7)4-9-6(2)8-3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJGXXFQRDDCJVPZ-UHFFFAOYSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.98
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

2-Imidazoline, 2-ethyl-
CID 13590
N,N'-Di-sec-butylacetamidine
CID 66575040
2-Methyl-1,4,5,6-tetrahydropyrimidine
CID 2771917
Ethanimidamide, N,N'-dibutyl-
CID 11194584
N,N'-dipropylethanimidamide
CID 12021308
2-Ethyl-1,4,5,6-tetrahydropyrimidine
CID 21290279
n,n'-Diethylacetamidine
CID 22639481
Dimethylformamidine isobutyl ester
CID 123896701
N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 13377748
2,2,2-trifluoro-N'-methyl-N-propan-2-ylethanimidamide
CID 13523150
5-Fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 58719934
5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 58801089

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N'-methylethanimidamide?
The IUPAC name of N-(2-fluoropropyl)-N'-methylethanimidamide (CID 134514341) is N-(2-fluoropropyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(2-fluoropropyl)-N'-methylethanimidamide?
The canonical SMILES for N-(2-fluoropropyl)-N'-methylethanimidamide is C/N=C(\C)NCC(C)F.
What is the InChIKey of N-(2-fluoropropyl)-N'-methylethanimidamide?
The InChIKey is JGXXFQRDDCJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(7)4-9-6(2)8-3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(2-fluoropropyl)-N'-methylethanimidamide?
N-(2-fluoropropyl)-N'-methylethanimidamide has a molecular weight of 132.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N'-methylethanimidamide is sourced from PubChem (CID 134514341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).