N'-carbamimidoylpiperidine-1-carboximidamide

C7H15N5 — CID 137346488

IUPACN'-carbamimidoylpiperidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H15N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-5H2,(H5,8,9,10,11)
InChIKeyAWRTYWUCRPIUMW-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.32
Rot. Bonds

About N'-carbamimidoylpiperidine-1-carboximidamide

N'-carbamimidoylpiperidine-1-carboximidamide (PubChem CID 137346488) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-carbamimidoylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoylpiperidine-1-carboximidamide
PubChem CID137346488
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN'-carbamimidoylpiperidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/C7H15N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-5H2,(H5,8,9,10,11)
InChIKeyAWRTYWUCRPIUMW-UHFFFAOYSA-N
XLogP-0.32
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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'-carbamimidoylpiperidine-1-carboximidamide?
The IUPAC name of N'-carbamimidoylpiperidine-1-carboximidamide (CID 137346488) is N'-carbamimidoylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-carbamimidoylpiperidine-1-carboximidamide?
The canonical SMILES for N'-carbamimidoylpiperidine-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-carbamimidoylpiperidine-1-carboximidamide?
The InChIKey is AWRTYWUCRPIUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-5H2,(H5,8,9,10,11).
What are the key properties of N'-carbamimidoylpiperidine-1-carboximidamide?
N'-carbamimidoylpiperidine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylpiperidine-1-carboximidamide is sourced from PubChem (CID 137346488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).