N-methyl-N-(methylamino)piperazine-1-carboximidamide

C7H17N5 — CID 57371017

IUPACN-methyl-N-(methylamino)piperazine-1-carboximidamide
SMILES[H]/N=C(/N1CCNCC1)N(C)NC
InChIInChI=1S/C7H17N5/c1-9-11(2)7(8)12-5-3-10-4-6-12/h8-10H,3-6H2,1-2H3/b8-7+
InChIKeyRYZGEBCTNFLVRH-BQYQJAHWSA-N
MW171.25 g/mol
LogP-1.11
Rot. Bonds1

About N-methyl-N-(methylamino)piperazine-1-carboximidamide

N-methyl-N-(methylamino)piperazine-1-carboximidamide (PubChem CID 57371017) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is N-methyl-N-(methylamino)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-methyl-N-(methylamino)piperazine-1-carboximidamide
PubChem CID57371017
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC NameN-methyl-N-(methylamino)piperazine-1-carboximidamide
SMILES[H]/N=C(/N1CCNCC1)N(C)NC
InChIInChI=1S/C7H17N5/c1-9-11(2)7(8)12-5-3-10-4-6-12/h8-10H,3-6H2,1-2H3/b8-7+
InChIKeyRYZGEBCTNFLVRH-BQYQJAHWSA-N
XLogP-1.11
TPSA54.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylamino)piperazine-1-carboximidamide?
The IUPAC name of N-methyl-N-(methylamino)piperazine-1-carboximidamide (CID 57371017) is N-methyl-N-(methylamino)piperazine-1-carboximidamide.
What is the SMILES notation for N-methyl-N-(methylamino)piperazine-1-carboximidamide?
The canonical SMILES for N-methyl-N-(methylamino)piperazine-1-carboximidamide is [H]/N=C(/N1CCNCC1)N(C)NC.
What is the InChIKey of N-methyl-N-(methylamino)piperazine-1-carboximidamide?
The InChIKey is RYZGEBCTNFLVRH-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N5/c1-9-11(2)7(8)12-5-3-10-4-6-12/h8-10H,3-6H2,1-2H3/b8-7+.
What are the key properties of N-methyl-N-(methylamino)piperazine-1-carboximidamide?
N-methyl-N-(methylamino)piperazine-1-carboximidamide has a molecular weight of 171.25 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylamino)piperazine-1-carboximidamide is sourced from PubChem (CID 57371017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).