N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide

C9H20N6 — CID 176547017

IUPACN'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCC(N(C)C)C1
InChIInChI=1S/C9H20N6/c1-14(2)7-4-3-5-15(6-7)9(12)13-8(10)11/h7H,3-6H2,1-2H3,(H5,10,11,12,13)
InChIKeyIMYSNPCOIHPXCJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.78
Rot. Bonds1

About N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide

N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide (PubChem CID 176547017) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
PubChem CID176547017
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC NameN'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCCC(N(C)C)C1
InChIInChI=1S/C9H20N6/c1-14(2)7-4-3-5-15(6-7)9(12)13-8(10)11/h7H,3-6H2,1-2H3,(H5,10,11,12,13)
InChIKeyIMYSNPCOIHPXCJ-UHFFFAOYSA-N
XLogP-0.78
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide?
The IUPAC name of N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide (CID 176547017) is N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide.
What is the SMILES notation for N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide?
The canonical SMILES for N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCCC(N(C)C)C1.
What is the InChIKey of N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide?
The InChIKey is IMYSNPCOIHPXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-14(2)7-4-3-5-15(6-7)9(12)13-8(10)11/h7H,3-6H2,1-2H3,(H5,10,11,12,13).
What are the key properties of N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide?
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide is sourced from PubChem (CID 176547017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).