N-methyl-N',N'-bis(methylaminomethyl)methanediamine

C6H18N4 — CID 15806800

IUPACN-methyl-N',N'-bis(methylaminomethyl)methanediamine
SMILESCNCN(CNC)CNC
InChIInChI=1S/C6H18N4/c1-7-4-10(5-8-2)6-9-3/h7-9H,4-6H2,1-3H3
InChIKeyMEEUJAGXPSVZHB-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.18
Rot. Bonds6

About N-methyl-N',N'-bis(methylaminomethyl)methanediamine

N-methyl-N',N'-bis(methylaminomethyl)methanediamine (PubChem CID 15806800) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is N-methyl-N',N'-bis(methylaminomethyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N',N'-bis(methylaminomethyl)methanediamine
PubChem CID15806800
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC NameN-methyl-N',N'-bis(methylaminomethyl)methanediamine
SMILESCNCN(CNC)CNC
InChIInChI=1S/C6H18N4/c1-7-4-10(5-8-2)6-9-3/h7-9H,4-6H2,1-3H3
InChIKeyMEEUJAGXPSVZHB-UHFFFAOYSA-N
XLogP-1.18
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N',N'-bis(methylaminomethyl)methanediamine?
The IUPAC name of N-methyl-N',N'-bis(methylaminomethyl)methanediamine (CID 15806800) is N-methyl-N',N'-bis(methylaminomethyl)methanediamine.
What is the SMILES notation for N-methyl-N',N'-bis(methylaminomethyl)methanediamine?
The canonical SMILES for N-methyl-N',N'-bis(methylaminomethyl)methanediamine is CNCN(CNC)CNC.
What is the InChIKey of N-methyl-N',N'-bis(methylaminomethyl)methanediamine?
The InChIKey is MEEUJAGXPSVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-7-4-10(5-8-2)6-9-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-methyl-N',N'-bis(methylaminomethyl)methanediamine?
N-methyl-N',N'-bis(methylaminomethyl)methanediamine has a molecular weight of 146.24 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N',N'-bis(methylaminomethyl)methanediamine is sourced from PubChem (CID 15806800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).