N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide

C8H18N6 — CID 176546987

IUPACN'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCC(N(C)C)C1
InChIInChI=1S/C8H18N6/c1-13(2)6-3-4-14(5-6)8(11)12-7(9)10/h6H,3-5H2,1-2H3,(H5,9,10,11,12)
InChIKeyLTXOOCLSCCOPSA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.17
Rot. Bonds1

About N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide

N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide (PubChem CID 176546987) has the molecular formula C8H18N6 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
PubChem CID176546987
Molecular FormulaC8H18N6
Molecular Weight198.27 g/mol
Exact Mass198.16
IUPAC NameN'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCC(N(C)C)C1
InChIInChI=1S/C8H18N6/c1-13(2)6-3-4-14(5-6)8(11)12-7(9)10/h6H,3-5H2,1-2H3,(H5,9,10,11,12)
InChIKeyLTXOOCLSCCOPSA-UHFFFAOYSA-N
XLogP-1.17
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.17
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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Related Compounds

N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017
N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
N'-carbamimidoyl-4-ethylazepane-1-carboximidamide
CID 176546918
1-butanimidoyl-N,N-dimethylpyrrolidin-3-amine
CID 63181326
N'-amino-4-(dimethylamino)piperidine-1-carboximidamide
CID 77053935
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
CID 176546906
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide (CID 176546987) is N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCC(N(C)C)C1.
What is the InChIKey of N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide?
The InChIKey is LTXOOCLSCCOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6/c1-13(2)6-3-4-14(5-6)8(11)12-7(9)10/h6H,3-5H2,1-2H3,(H5,9,10,11,12).
What are the key properties of N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide?
N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide has a molecular weight of 198.27 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 176546987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).