N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide

C11H22FN9 — CID 161421983

IUPACN-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
SMILES[H]/N=C(CC(=N/[H])/N=C(\C)N)\N=C(/C)N.[H]/N=C(CF)/N=C(\C)N
InChIInChI=1S/C7H14N6.C4H8FN3/c1-4(8)12-6(10)3-7(11)13-5(2)9;1-3(6)8-4(7)2-5/h3H2,1-2H3,(H3,8,10,12)(H3,9,11,13);2H2,1H3,(H3,6,7,8)
InChIKeyVWVVCAVLEGKQMC-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.40
Rot. Bonds3

About N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide

N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide (PubChem CID 161421983) has the molecular formula C11H22FN9 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
PubChem CID161421983
Molecular FormulaC11H22FN9
Molecular Weight299.36 g/mol
Exact Mass299.20
IUPAC NameN-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
SMILES[H]/N=C(CC(=N/[H])/N=C(\C)N)\N=C(/C)N.[H]/N=C(CF)/N=C(\C)N
InChIInChI=1S/C7H14N6.C4H8FN3/c1-4(8)12-6(10)3-7(11)13-5(2)9;1-3(6)8-4(7)2-5/h3H2,1-2H3,(H3,8,10,12)(H3,9,11,13);2H2,1H3,(H3,6,7,8)
InChIKeyVWVVCAVLEGKQMC-UHFFFAOYSA-N
XLogP0.40
TPSA186.69 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 50.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
N'-carbamimidoylethanimidamide
CID 20603119
ethanimidamide;guanidine
CID 160661984
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
N'-propanimidoylpropanimidamide
CID 58804639
methyl 4-[N-(1-aminoethylidene)carbamimidoyl]sulfanyl-3-oxobutanoate
CID 163676337
1-butan-2-ylideneguanidine
CID 161053722
cobalt;ethanimidamide
CID 162055614
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
CID 176531946
ethanimidamide;hydrate;hydrochloride
CID 160733537
3-(1-aminoethylideneamino)-3-oxopropanoic acid
CID 137434238

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide?
The IUPAC name of N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide (CID 161421983) is N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide?
The canonical SMILES for N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide is [H]/N=C(CC(=N/[H])/N=C(\C)N)\N=C(/C)N.[H]/N=C(CF)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide?
The InChIKey is VWVVCAVLEGKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6.C4H8FN3/c1-4(8)12-6(10)3-7(11)13-5(2)9;1-3(6)8-4(7)2-5/h3H2,1-2H3,(H3,8,10,12)(H3,9,11,13);2H2,1H3,(H3,6,7,8).
What are the key properties of N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide?
N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide has a molecular weight of 299.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide is sourced from PubChem (CID 161421983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).