N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

C20H36N6 — CID 111219293

IUPACN-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCN(C)C(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H36N6/c1-5-21-20(23-12-8-9-13-24(4)18(2)3)26-16-14-25(15-17-26)19-10-6-7-11-22-19/h6-7,10-11,18H,5,8-9,12-17H2,1-4H3,(H,21,23)
InChIKeyXICRAMCWEOBKSD-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.29
Rot. Bonds8

About N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111219293) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111219293
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC NameN-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCCCN(C)C(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H36N6/c1-5-21-20(23-12-8-9-13-24(4)18(2)3)26-16-14-25(15-17-26)19-10-6-7-11-22-19/h6-7,10-11,18H,5,8-9,12-17H2,1-4H3,(H,21,23)
InChIKeyXICRAMCWEOBKSD-UHFFFAOYSA-N
XLogP2.29
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
N-ethyl-N'-(3-propan-2-yloxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220639
N'-(4-ethoxybutyl)-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219436
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-ethyl-4-pyridin-2-yl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111221185
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220173
N-ethyl-4-pyridin-2-yl-N'-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111219166
N-ethyl-N'-[2-(N-methylanilino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219236
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219663
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111219293) is N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CCCCN(C)C(C)C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is XICRAMCWEOBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-5-21-20(23-12-8-9-13-24(4)18(2)3)26-16-14-25(15-17-26)19-10-6-7-11-22-19/h6-7,10-11,18H,5,8-9,12-17H2,1-4H3,(H,21,23).
What are the key properties of N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 360.55 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111219293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).