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

C10H18ClF2N5 — CID 176527064

IUPACN-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CC1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H17F2N5.ClH/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);1H
InChIKeyVSTQUMBBTGNMHH-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.00
Rot. Bonds2

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

N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride (PubChem CID 176527064) has the molecular formula C10H18ClF2N5 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
PubChem CID176527064
Molecular FormulaC10H18ClF2N5
Molecular Weight281.74 g/mol
Exact Mass281.12
IUPAC NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CC1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C10H17F2N5.ClH/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);1H
InChIKeyVSTQUMBBTGNMHH-UHFFFAOYSA-N
XLogP1.00
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.00
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;hydrochloride?
The IUPAC name of N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride (CID 176527064) is N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is VSTQUMBBTGNMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5.ClH/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);1H.
What are the key properties of N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
N-[N'-(cyclopropylmethyl)carbamimidoyl]-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 1.00, 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;hydrochloride is sourced from PubChem (CID 176527064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).