N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide

C9H15F2N5 — CID 176520830

IUPACN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N5/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6/h6H,1-5H2,(H4,12,13,14,15)
InChIKeyDQHZXIZTTWBWND-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.33
Rot. Bonds1

About N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide

N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 176520830) has the molecular formula C9H15F2N5 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID176520830
Molecular FormulaC9H15F2N5
Molecular Weight231.25 g/mol
Exact Mass231.13
IUPAC NameN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N5/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6/h6H,1-5H2,(H4,12,13,14,15)
InChIKeyDQHZXIZTTWBWND-UHFFFAOYSA-N
XLogP0.33
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide (CID 176520830) is N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide is [H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1.
What is the InChIKey of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is DQHZXIZTTWBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6/h6H,1-5H2,(H4,12,13,14,15).
What are the key properties of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide?
N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 231.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 176520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).