N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide

C10H17F2N5 — CID 122656904

IUPACN'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
SMILESNC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C10H17F2N5/c11-10(12)3-4-17(6-10)9(14)16-8(13)15-5-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16)
InChIKeyLMTIHGXMUOWSRN-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.37
Rot. Bonds2

About N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide

N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 122656904) has the molecular formula C10H17F2N5 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID122656904
Molecular FormulaC10H17F2N5
Molecular Weight245.28 g/mol
Exact Mass245.15
IUPAC NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
SMILESNC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C10H17F2N5/c11-10(12)3-4-17(6-10)9(14)16-8(13)15-5-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16)
InChIKeyLMTIHGXMUOWSRN-UHFFFAOYSA-N
XLogP0.37
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
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

N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 122656903
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494481
N'-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494482
CID 161389311
CID 161389311
N'-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 172802163
N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
CID 176520827
N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 176527064
1-Cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 55063075
1-Cyclopropyl-1-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110030224
1-Cyclopropyl-1-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110030225
1,1-Diethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065417
1,1-Diethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111065418

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide (CID 122656904) is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide is NC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)C1.
What is the InChIKey of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is LMTIHGXMUOWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5/c11-10(12)3-4-17(6-10)9(14)16-8(13)15-5-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16).
What are the key properties of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide?
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 245.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 122656904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).