N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide

C10H22N4 — CID 59020795

IUPACN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C10H22N4/c1-10(11)13(3)6-9-14-7-4-12(2)5-8-14/h11H,4-9H2,1-3H3/b11-10+
InChIKeyPYTKDKRWMXSMOV-ZHACJKMWSA-N
MW198.31 g/mol
LogP0.16
Rot. Bonds3

About N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide

N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide (PubChem CID 59020795) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide
PubChem CID59020795
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC NameN-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C10H22N4/c1-10(11)13(3)6-9-14-7-4-12(2)5-8-14/h11H,4-9H2,1-3H3/b11-10+
InChIKeyPYTKDKRWMXSMOV-ZHACJKMWSA-N
XLogP0.16
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide (CID 59020795) is N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide is [H]/N=C(\C)N(C)CCN1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide?
The InChIKey is PYTKDKRWMXSMOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N4/c1-10(11)13(3)6-9-14-7-4-12(2)5-8-14/h11H,4-9H2,1-3H3/b11-10+.
What are the key properties of N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide?
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide has a molecular weight of 198.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide is sourced from PubChem (CID 59020795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).