N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide

C14H22N4 — CID 116513546

IUPACN-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H22N4/c1-2-9-16-14(17-15)18-10-8-13(11-18)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyVYVYKIKKTZQYEN-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.71
Rot. Bonds3

About N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide

N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 116513546) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
PubChem CID116513546
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H22N4/c1-2-9-16-14(17-15)18-10-8-13(11-18)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyVYVYKIKKTZQYEN-UHFFFAOYSA-N
XLogP1.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.71
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'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
CID 116513553
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111722793
N-(2-butoxyethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111724061
methyl 5-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 111723376
N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723334
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723326
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724171

Frequently Asked Questions

What is the IUPAC name of N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide (CID 116513546) is N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\NN)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is VYVYKIKKTZQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-9-16-14(17-15)18-10-8-13(11-18)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17).
What are the key properties of N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide?
N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 116513546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).