N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide

C14H27N5 — CID 71514568

IUPACN'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide
SMILESNC(=N\C1CCCCCC1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H27N5/c15-13(17-12-8-4-1-2-5-9-12)18-14(16)19-10-6-3-7-11-19/h12H,1-11H2,(H4,15,16,17,18)
InChIKeyRBDNDAMWUJZRFH-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.82
Rot. Bonds1

About N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide

N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide (PubChem CID 71514568) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide
PubChem CID71514568
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide
SMILESNC(=N\C1CCCCCC1)/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H27N5/c15-13(17-12-8-4-1-2-5-9-12)18-14(16)19-10-6-3-7-11-19/h12H,1-11H2,(H4,15,16,17,18)
InChIKeyRBDNDAMWUJZRFH-UHFFFAOYSA-N
XLogP1.82
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.82
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'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide (CID 71514568) is N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide is NC(=N\C1CCCCCC1)/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide?
The InChIKey is RBDNDAMWUJZRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c15-13(17-12-8-4-1-2-5-9-12)18-14(16)19-10-6-3-7-11-19/h12H,1-11H2,(H4,15,16,17,18).
What are the key properties of N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide?
N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide has a molecular weight of 265.40 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cycloheptylcarbamimidoyl)piperidine-1-carboximidamide is sourced from PubChem (CID 71514568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).