4-propan-2-ylpiperidine-1-carboximidamide

C9H19N3 — CID 21018809

IUPAC4-propan-2-ylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)8-3-5-12(6-4-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOAVRYOCQURSRMP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.25
Rot. Bonds1

About 4-propan-2-ylpiperidine-1-carboximidamide

4-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 21018809) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-propan-2-ylpiperidine-1-carboximidamide
PubChem CID21018809
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-propan-2-ylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)8-3-5-12(6-4-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOAVRYOCQURSRMP-UHFFFAOYSA-N
XLogP1.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.25
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 4-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 4-propan-2-ylpiperidine-1-carboximidamide (CID 21018809) is 4-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 4-propan-2-ylpiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is OAVRYOCQURSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)8-3-5-12(6-4-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 4-propan-2-ylpiperidine-1-carboximidamide?
4-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 21018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).