N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide

C9H18N4 — CID 104884388

IUPACN-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
SMILESCC1CCN(/C(=N/C2CC2)NN)C1
InChIInChI=1S/C9H18N4/c1-7-4-5-13(6-7)9(12-10)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMULAXFDWPVXRAK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.31
Rot. Bonds1

About N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide

N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide (PubChem CID 104884388) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
PubChem CID104884388
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
SMILESCC1CCN(/C(=N/C2CC2)NN)C1
InChIInChI=1S/C9H18N4/c1-7-4-5-13(6-7)9(12-10)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyMULAXFDWPVXRAK-UHFFFAOYSA-N
XLogP0.31
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopropyl-2,5-dimethylpiperidine-1-carboximidamide
CID 104887162
N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
CID 104887680
N-amino-N'-cyclopentyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 104886953
N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
CID 116513553
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
CID 104886543
N-amino-N'-cyclohexylthiomorpholine-4-carboximidamide
CID 104883434
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
CID 116513680
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
N-amino-3,4-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104888958
N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104888959

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide (CID 104884388) is N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide is CC1CCN(/C(=N/C2CC2)NN)C1.
What is the InChIKey of N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide?
The InChIKey is MULAXFDWPVXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7-4-5-13(6-7)9(12-10)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide?
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide has a molecular weight of 182.27 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104884388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).