N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C18H35IN4 — CID 109454339

IUPACN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C18H34N4.HI/c1-6-19-16(22-13-17(2,3)18(22,4)5)20-11-14-9-10-21(12-14)15-7-8-15;/h14-15H,6-13H2,1-5H3,(H,19,20);1H
InChIKeyOLBMSXAHTBNKHU-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.17
Rot. Bonds4

About N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109454339) has the molecular formula C18H35IN4 and a molecular weight of 434.41 g/mol. Its IUPAC name is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109454339
Molecular FormulaC18H35IN4
Molecular Weight434.41 g/mol
Exact Mass434.19
IUPAC NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C18H34N4.HI/c1-6-19-16(22-13-17(2,3)18(22,4)5)20-11-14-9-10-21(12-14)15-7-8-15;/h14-15H,6-13H2,1-5H3,(H,19,20);1H
InChIKeyOLBMSXAHTBNKHU-UHFFFAOYSA-N
XLogP3.17
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740374
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145255
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745406
methyl 1-[N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252670
N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453799
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125993
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110958506
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947218
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205702
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416081
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300909

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109454339) is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCN(C2CC2)C1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is OLBMSXAHTBNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4.HI/c1-6-19-16(22-13-17(2,3)18(22,4)5)20-11-14-9-10-21(12-14)15-7-8-15;/h14-15H,6-13H2,1-5H3,(H,19,20);1H.
What are the key properties of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 434.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109454339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).