N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide

C20H33N5O — CID 111910441

IUPACN,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H33N5O/c1-4-21-20(22-14-12-19(26)24(5-2)6-3)23-17-13-15-25(16-17)18-10-8-7-9-11-18/h7-11,17H,4-6,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyLPECCISPYCJUOS-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.08
Rot. Bonds8

About N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide

N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide (PubChem CID 111910441) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide
PubChem CID111910441
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H33N5O/c1-4-21-20(22-14-12-19(26)24(5-2)6-3)23-17-13-15-25(16-17)18-10-8-7-9-11-18/h7-11,17H,4-6,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyLPECCISPYCJUOS-UHFFFAOYSA-N
XLogP2.08
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzyl-N-ethyl-2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111909580
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]acetamide
CID 111909163
1-ethyl-2-(2-methoxyethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910668
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910657
3-[[[[1-(3-chlorophenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109462761
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111910648
2-benzyl-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908886
N-ethyl-4-[[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111909234
N,N-diethyl-3-[[N-ethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111941936
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909819
3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111910670
N-cyclohexyl-2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111909552

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide (CID 111910441) is N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide is CCN/C(=N\CCC(=O)N(CC)CC)NC1CCN(c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide?
The InChIKey is LPECCISPYCJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-21-20(22-14-12-19(26)24(5-2)6-3)23-17-13-15-25(16-17)18-10-8-7-9-11-18/h7-11,17H,4-6,12-16H2,1-3H3,(H2,21,22,23).
What are the key properties of N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide?
N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide has a molecular weight of 359.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide is sourced from PubChem (CID 111910441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).