1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine

C7H16FN5 — CID 57261479

IUPAC1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine
SMILESCCC(CCF)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H16FN5/c1-2-5(3-4-8)12-7(11)13-6(9)10/h5H,2-4H2,1H3,(H6,9,10,11,12,13)
InChIKeyJHWBRHCXDLRQCG-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.29
Rot. Bonds4

About 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine

1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine (PubChem CID 57261479) has the molecular formula C7H16FN5 and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine
PubChem CID57261479
Molecular FormulaC7H16FN5
Molecular Weight189.24 g/mol
Exact Mass189.14
IUPAC Name1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine
SMILESCCC(CCF)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H16FN5/c1-2-5(3-4-8)12-7(11)13-6(9)10/h5H,2-4H2,1H3,(H6,9,10,11,12,13)
InChIKeyJHWBRHCXDLRQCG-UHFFFAOYSA-N
XLogP-0.29
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.29
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine (CID 57261479) is 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine is CCC(CCF)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine?
The InChIKey is JHWBRHCXDLRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN5/c1-2-5(3-4-8)12-7(11)13-6(9)10/h5H,2-4H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine?
1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine has a molecular weight of 189.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine is sourced from PubChem (CID 57261479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).