N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide

C10H20FN3 — CID 143513162

IUPACN-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
SMILESC=CN(/C=N/CC)C(CCN)CCF
InChIInChI=1S/C10H20FN3/c1-3-13-9-14(4-2)10(5-7-11)6-8-12/h4,9-10H,2-3,5-8,12H2,1H3/b13-9+
InChIKeyMGNGBBGRKFYYOE-UKTHLTGXSA-N
MW201.29 g/mol
LogP1.56
Rot. Bonds8

About N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide

N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide (PubChem CID 143513162) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
PubChem CID143513162
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC NameN-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
SMILESC=CN(/C=N/CC)C(CCN)CCF
InChIInChI=1S/C10H20FN3/c1-3-13-9-14(4-2)10(5-7-11)6-8-12/h4,9-10H,2-3,5-8,12H2,1H3/b13-9+
InChIKeyMGNGBBGRKFYYOE-UKTHLTGXSA-N
XLogP1.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-aminobutyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490343
N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane
CID 143187083
N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;ethane;molecular hydrogen
CID 144105706
[Butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium
CID 144851108
[Butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium
CID 144851109

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide?
The IUPAC name of N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide (CID 143513162) is N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide.
What is the SMILES notation for N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide?
The canonical SMILES for N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide is C=CN(/C=N/CC)C(CCN)CCF.
What is the InChIKey of N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide?
The InChIKey is MGNGBBGRKFYYOE-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H20FN3/c1-3-13-9-14(4-2)10(5-7-11)6-8-12/h4,9-10H,2-3,5-8,12H2,1H3/b13-9+.
What are the key properties of N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide?
N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide has a molecular weight of 201.29 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide is sourced from PubChem (CID 143513162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).