N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide

C13H25N5 — CID 121358568

IUPACN'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C13H25N5/c1-10-5-4-8-18(9-10)13(15)17-12(14)16-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H4,14,15,16,17)
InChIKeyIRQJZNABDPBFAQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.29
Rot. Bonds1

About N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide

N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 121358568) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide
PubChem CID121358568
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C13H25N5/c1-10-5-4-8-18(9-10)13(15)17-12(14)16-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H4,14,15,16,17)
InChIKeyIRQJZNABDPBFAQ-UHFFFAOYSA-N
XLogP1.29
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide (CID 121358568) is N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/C(N)=N/C2CCCC2)C1.
What is the InChIKey of N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is IRQJZNABDPBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-5-4-8-18(9-10)13(15)17-12(14)16-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H4,14,15,16,17).
What are the key properties of N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide?
N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 251.38 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclopentylcarbamimidoyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 121358568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).