N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide

C8H17N5 — CID 12017571

IUPACN'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC1)N(C)C
InChIInChI=1S/C8H17N5/c1-12(2)7(9)11-8(10)13-5-3-4-6-13/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeyONXGPEKTNWYTJI-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.11
Rot. Bonds

About N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide

N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide (PubChem CID 12017571) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide
PubChem CID12017571
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)N1CCCC1)N(C)C
InChIInChI=1S/C8H17N5/c1-12(2)7(9)11-8(10)13-5-3-4-6-13/h3-6H2,1-2H3,(H3,9,10,11)
InChIKeyONXGPEKTNWYTJI-UHFFFAOYSA-N
XLogP-0.11
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide (CID 12017571) is N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide is [H]/N=C(/N=C(\N)N1CCCC1)N(C)C.
What is the InChIKey of N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide?
The InChIKey is ONXGPEKTNWYTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-12(2)7(9)11-8(10)13-5-3-4-6-13/h3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide?
N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide has a molecular weight of 183.26 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N,N-dimethylcarbamimidoyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 12017571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).