N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide

C11H24N4 — CID 59020879

IUPACN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN1CCN(C)CC1
InChIInChI=1S/C11H24N4/c1-11(12)14(3)5-4-6-15-9-7-13(2)8-10-15/h12H,4-10H2,1-3H3/b12-11+
InChIKeyIEYAWTJKTOUEOS-VAWYXSNFSA-N
MW212.34 g/mol
LogP0.55
Rot. Bonds4

About N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide

N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide (PubChem CID 59020879) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide
PubChem CID59020879
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCCN1CCN(C)CC1
InChIInChI=1S/C11H24N4/c1-11(12)14(3)5-4-6-15-9-7-13(2)8-10-15/h12H,4-10H2,1-3H3/b12-11+
InChIKeyIEYAWTJKTOUEOS-VAWYXSNFSA-N
XLogP0.55
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.55
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-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide?
The IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide (CID 59020879) is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide is [H]/N=C(\C)N(C)CCCN1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide?
The InChIKey is IEYAWTJKTOUEOS-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H24N4/c1-11(12)14(3)5-4-6-15-9-7-13(2)8-10-15/h12H,4-10H2,1-3H3/b12-11+.
What are the key properties of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide?
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide is sourced from PubChem (CID 59020879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).