N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide

C9H19N7 — CID 54410657

IUPACN,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N(/C(N)=N/[H])/C(=N/[H])N1CCC(C)CC1
InChIInChI=1S/C9H19N7/c1-6-2-4-15(5-3-6)9(14)16(7(10)11)8(12)13/h6,14H,2-5H2,1H3,(H3,10,11)(H3,12,13)/b14-9+
InChIKeyVTWQWISWBMZQJB-NTEUORMPSA-N
MW225.30 g/mol
LogP-0.26
Rot. Bonds

About N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide

N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide (PubChem CID 54410657) has the molecular formula C9H19N7 and a molecular weight of 225.30 g/mol. Its IUPAC name is N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide
PubChem CID54410657
Molecular FormulaC9H19N7
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC NameN,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N(/C(N)=N/[H])/C(=N/[H])N1CCC(C)CC1
InChIInChI=1S/C9H19N7/c1-6-2-4-15(5-3-6)9(14)16(7(10)11)8(12)13/h6,14H,2-5H2,1H3,(H3,10,11)(H3,12,13)/b14-9+
InChIKeyVTWQWISWBMZQJB-NTEUORMPSA-N
XLogP-0.26
TPSA130.07 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide (CID 54410657) is N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide is [H]/N=C(\N)N(/C(N)=N/[H])/C(=N/[H])N1CCC(C)CC1.
What is the InChIKey of N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide?
The InChIKey is VTWQWISWBMZQJB-NTEUORMPSA-N. The full InChI is InChI=1S/C9H19N7/c1-6-2-4-15(5-3-6)9(14)16(7(10)11)8(12)13/h6,14H,2-5H2,1H3,(H3,10,11)(H3,12,13)/b14-9+.
What are the key properties of N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide?
N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide has a molecular weight of 225.30 g/mol, XLogP of -0.26, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 54410657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).