N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide

C8H17FN2 — CID 123557300

IUPACN'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\CC(C)(C)F)N(C)C
InChIInChI=1S/C8H17FN2/c1-7(11(4)5)10-6-8(2,3)9/h6H2,1-5H3/b10-7+
InChIKeyLVCKIOMIGPMJDA-JXMROGBWSA-N
MW160.24 g/mol
LogP1.71
Rot. Bonds2

About N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide

N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide (PubChem CID 123557300) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide
PubChem CID123557300
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC NameN'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\CC(C)(C)F)N(C)C
InChIInChI=1S/C8H17FN2/c1-7(11(4)5)10-6-8(2,3)9/h6H2,1-5H3/b10-7+
InChIKeyLVCKIOMIGPMJDA-JXMROGBWSA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
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

N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N'-Isobutyl-N,N-dimethyl-acetamidine
CID 525281
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Diethyl-N'-propylacetamidine
CID 519058
(CH3)2N-C(CH3)=N(t-C4H9)
CID 6432114
(CH3)2NC(CH3)=N-(CH2)3N(CH3)2
CID 6432127
[N-(2,2-dimethylpropyl)-C-methylcarbonimidoyl]-methylazanide;rhodium
CID 57678970
N'-(2,2-dimethylpropyl)-N,N-dimethylethanimidamide
CID 59021733
N,N-dimethyl-N'-(2-methylpropyl)propanimidamide
CID 85541371
N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide
CID 88543629

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide (CID 123557300) is N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide is C/C(=N\CC(C)(C)F)N(C)C.
What is the InChIKey of N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide?
The InChIKey is LVCKIOMIGPMJDA-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17FN2/c1-7(11(4)5)10-6-8(2,3)9/h6H2,1-5H3/b10-7+.
What are the key properties of N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide?
N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide has a molecular weight of 160.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 123557300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).