3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide

C15H24N4 — CID 55225122

IUPAC3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide
SMILESCCN(CC)C1CCN(/C(N)=N/c2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-3-18(4-2)14-10-11-19(12-14)15(16)17-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,17)
InChIKeyMHQLIAOJIRWEKY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds4

About 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide

3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide (PubChem CID 55225122) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide
PubChem CID55225122
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide
SMILESCCN(CC)C1CCN(/C(N)=N/c2ccccc2)C1
InChIInChI=1S/C15H24N4/c1-3-18(4-2)14-10-11-19(12-14)15(16)17-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,17)
InChIKeyMHQLIAOJIRWEKY-UHFFFAOYSA-N
XLogP2.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
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'}

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Related Compounds

N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
N',4-diphenylpiperidine-1-carboximidamide
CID 70452820
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 110446224
N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 62363809
2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
CID 62889862
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
N'-phenyl-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboximidamide
CID 63009752

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide (CID 55225122) is 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide is CCN(CC)C1CCN(/C(N)=N/c2ccccc2)C1.
What is the InChIKey of 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide?
The InChIKey is MHQLIAOJIRWEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-18(4-2)14-10-11-19(12-14)15(16)17-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,17).
What are the key properties of 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide?
3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide has a molecular weight of 260.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N'-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 55225122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).