3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine

C7H16FN5 — CID 18769850

IUPAC3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)CC(C)F
InChIInChI=1S/C7H16FN5/c1-3-13(4-5(2)8)7(11)12-6(9)10/h5H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyMXRGBOXVTHHNGZ-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.13
Rot. Bonds3

About 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine

3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine (PubChem CID 18769850) has the molecular formula C7H16FN5 and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine
PubChem CID18769850
Molecular FormulaC7H16FN5
Molecular Weight189.24 g/mol
Exact Mass189.14
IUPAC Name3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)CC(C)F
InChIInChI=1S/C7H16FN5/c1-3-13(4-5(2)8)7(11)12-6(9)10/h5H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyMXRGBOXVTHHNGZ-UHFFFAOYSA-N
XLogP-0.13
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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

1,1-Dipentylbiguanide
CID 176528677
Biguanide, 1,1-dipentyl-
CID 58403
N,N-dibutylimidodicarbonimidic diamide
CID 58400
n,n-Dipropyl-guanidine
CID 9494
1,2-Diethyl-1-(2-fluoropropyl)guanidine
CID 90972045
Biguanide, 1-butyl-1-methyl-, monohydrochloride
CID 176518466
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
CID 9570964
3-(Diaminomethylidene)-1-ethyl-1-(4-fluorobutyl)guanidine
CID 18769853
3-(Diaminomethylidene)-1-ethyl-1-(3-fluoropropyl)guanidine
CID 18769894
2-Methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358422
2-Ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364342
1,2-Dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364343

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine (CID 18769850) is 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine is [H]/N=C(\N=C(N)N)N(CC)CC(C)F.
What is the InChIKey of 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine?
The InChIKey is MXRGBOXVTHHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN5/c1-3-13(4-5(2)8)7(11)12-6(9)10/h5H,3-4H2,1-2H3,(H5,9,10,11,12).
What are the key properties of 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine?
3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine has a molecular weight of 189.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine is sourced from PubChem (CID 18769850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).