N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide

C16H26N4O — CID 116513545

IUPACN-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N4O/c1-2-21-12-6-10-18-16(19-17)20-11-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19)
InChIKeySJNDSCVEYCJRIW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 116513545) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
PubChem CID116513545
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N4O/c1-2-21-12-6-10-18-16(19-17)20-11-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19)
InChIKeySJNDSCVEYCJRIW-UHFFFAOYSA-N
XLogP1.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
CID 116513553
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
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-amino-N'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide (CID 116513545) is N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is SJNDSCVEYCJRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-21-12-6-10-18-16(19-17)20-11-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 116513545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).