N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide

C21H43N5 — CID 111734061

IUPACN-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCC(CC(C)C)C1
InChIInChI=1S/C21H43N5/c1-5-22-21(26-12-9-20(18-26)17-19(3)4)23-10-7-8-11-25-15-13-24(6-2)14-16-25/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeyFAUVJCBPCGPVQV-UHFFFAOYSA-N
MW365.61 g/mol
LogP2.74
Rot. Bonds9

About N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 111734061) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID111734061
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC NameN-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)N1CCC(CC(C)C)C1
InChIInChI=1S/C21H43N5/c1-5-22-21(26-12-9-20(18-26)17-19(3)4)23-10-7-8-11-25-15-13-24(6-2)14-16-25/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeyFAUVJCBPCGPVQV-UHFFFAOYSA-N
XLogP2.74
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111734817
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726072
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734690
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
tert-butyl N-[1-[N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729069
N-ethyl-3-(2-methylpropyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111734024
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111748472
3-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 111734447
N-[4-[2-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111734950
N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734430
N-ethyl-3-(2-methylpropyl)-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111734444
N-ethyl-3-(2-methylpropyl)-N'-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]pyrrolidine-1-carboximidamide
CID 111734711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 111734061) is N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCCCN1CCN(CC)CC1)N1CCC(CC(C)C)C1.
What is the InChIKey of N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is FAUVJCBPCGPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5/c1-5-22-21(26-12-9-20(18-26)17-19(3)4)23-10-7-8-11-25-15-13-24(6-2)14-16-25/h19-20H,5-18H2,1-4H3,(H,22,23).
What are the key properties of N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 365.61 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111734061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).