N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide

C9H18N4O — CID 54421632

IUPACN'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide
SMILESCC(N)=NC(C)NC1CCN(C=O)C1
InChIInChI=1S/C9H18N4O/c1-7(10)11-8(2)12-9-3-4-13(5-9)6-14/h6,8-9,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyWBFPPWNTSRDGAM-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.47
Rot. Bonds4

About N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide

N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide (PubChem CID 54421632) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide
PubChem CID54421632
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide
SMILESCC(N)=NC(C)NC1CCN(C=O)C1
InChIInChI=1S/C9H18N4O/c1-7(10)11-8(2)12-9-3-4-13(5-9)6-14/h6,8-9,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyWBFPPWNTSRDGAM-UHFFFAOYSA-N
XLogP-0.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]methanimidamide
CID 54110074
4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)butanamide
CID 54193019
1-[(3S)-1-[3-(diaminomethylideneamino)propyl]pyrrolidin-3-yl]-3-methylurea
CID 89495101
1-[(3R)-1-[3-(diaminomethylideneamino)propyl]pyrrolidin-3-yl]-3-methylurea
CID 89495102
1-tert-butyl-3-[(3R)-1-[3-(diaminomethylideneamino)propyl]pyrrolidin-3-yl]urea
CID 132234564
1-tert-butyl-3-[(3S)-1-[3-(diaminomethylideneamino)propyl]pyrrolidin-3-yl]urea
CID 132235359
[(3S)-1-[3-(diaminomethylideneamino)propyl]pyrrolidin-3-yl]urea
CID 144172948
N-methyl-N-(3-methyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]imidazole-2-carboximidoyl)formamide
CID 144979330
1-(2-Methyl-4,5-dihydroimidazol-1-yl)propan-2-ylurea
CID 145851525
4-(Diaminomethyl)-1-ethyl-5-(methoxymethylimino)imidazolidin-2-one
CID 164002388
N,1-Dimethyl-2-oxoimidazolidine-4-carboximidamide
CID 45088457
N-(1-amino-1-iminopropan-2-yl)pyrrolidine-1-carboxamide
CID 79155330

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide?
The IUPAC name of N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide (CID 54421632) is N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide.
What is the SMILES notation for N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide?
The canonical SMILES for N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide is CC(N)=NC(C)NC1CCN(C=O)C1.
What is the InChIKey of N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide?
The InChIKey is WBFPPWNTSRDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(10)11-8(2)12-9-3-4-13(5-9)6-14/h6,8-9,12H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide?
N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide has a molecular weight of 198.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(1-formylpyrrolidin-3-yl)amino]ethyl]ethanimidamide is sourced from PubChem (CID 54421632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).