N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C20H37N5O2 — CID 109490486

IUPACN-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCN2C(=O)NC(C)(CC)C2=O)C1
InChIInChI=1S/C20H37N5O2/c1-6-10-19(3)11-8-13-24(15-19)17(21-5)22-12-9-14-25-16(26)20(4,7-2)23-18(25)27/h6-15H2,1-5H3,(H,21,22)(H,23,27)
InChIKeyRFBUJRZAANMBBG-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.57
Rot. Bonds7

About N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490486) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490486
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC NameN-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCN2C(=O)NC(C)(CC)C2=O)C1
InChIInChI=1S/C20H37N5O2/c1-6-10-19(3)11-8-13-24(15-19)17(21-5)22-12-9-14-25-16(26)20(4,7-2)23-18(25)27/h6-15H2,1-5H3,(H,21,22)(H,23,27)
InChIKeyRFBUJRZAANMBBG-UHFFFAOYSA-N
XLogP2.57
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490486) is N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCCN2C(=O)NC(C)(CC)C2=O)C1.
What is the InChIKey of N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is RFBUJRZAANMBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c1-6-10-19(3)11-8-13-24(15-19)17(21-5)22-12-9-14-25-16(26)20(4,7-2)23-18(25)27/h6-15H2,1-5H3,(H,21,22)(H,23,27).
What are the key properties of N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 379.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).