N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine

C11H28N6 — CID 90847172

IUPACN'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine
SMILESCNCN1CCNCC1.[H]/N=C/CN(C)CNC
InChIInChI=1S/C6H15N3.C5H13N3/c1-7-6-9-4-2-8-3-5-9;1-7-5-8(2)4-3-6/h7-8H,2-6H2,1H3;3,6-7H,4-5H2,1-2H3/b;6-3+
InChIKeyRZGDQWIQDOQHRX-GNRCENTLSA-N
MW244.39 g/mol
LogP-1.19
Rot. Bonds6

About N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine

N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine (PubChem CID 90847172) has the molecular formula C11H28N6 and a molecular weight of 244.39 g/mol. Its IUPAC name is N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound NameN'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine
PubChem CID90847172
Molecular FormulaC11H28N6
Molecular Weight244.39 g/mol
Exact Mass244.24
IUPAC NameN'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine
SMILESCNCN1CCNCC1.[H]/N=C/CN(C)CNC
InChIInChI=1S/C6H15N3.C5H13N3/c1-7-6-9-4-2-8-3-5-9;1-7-5-8(2)4-3-6/h7-8H,2-6H2,1H3;3,6-7H,4-5H2,1-2H3/b;6-3+
InChIKeyRZGDQWIQDOQHRX-GNRCENTLSA-N
XLogP-1.19
TPSA66.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine?
The IUPAC name of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine (CID 90847172) is N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine is CNCN1CCNCC1.[H]/N=C/CN(C)CNC.
What is the InChIKey of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine?
The InChIKey is RZGDQWIQDOQHRX-GNRCENTLSA-N. The full InChI is InChI=1S/C6H15N3.C5H13N3/c1-7-6-9-4-2-8-3-5-9;1-7-5-8(2)4-3-6/h7-8H,2-6H2,1H3;3,6-7H,4-5H2,1-2H3/b;6-3+.
What are the key properties of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine?
N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine has a molecular weight of 244.39 g/mol, XLogP of -1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine;N-methyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 90847172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).