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

C10H17F2N5 — CID 176520827

IUPACN-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC1CC1)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
LogP0.58
Rot. Bonds2

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

N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 176520827) 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 CID176520827
Molecular FormulaC10H17F2N5
Molecular Weight245.28 g/mol
Exact Mass245.15
IUPAC NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC1CC1)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
XLogP0.58
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.58
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'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide (CID 176520827) 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 [H]/N=C(\N/C(N)=N/CC1CC1)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 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 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 176520827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).