N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate

C9H23N5O2 — CID 159057116

IUPACN,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate
SMILESCN=C=NC.CNC(=O)OC.CNCNC
InChIInChI=1S/C3H10N2.C3H6N2.C3H7NO2/c2*1-4-3-5-2;1-4-3(5)6-2/h4-5H,3H2,1-2H3;1-2H3;1-2H3,(H,4,5)
InChIKeyJXZMSCZJNBJZDV-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.23
Rot. Bonds2

About N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate

N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate (PubChem CID 159057116) has the molecular formula C9H23N5O2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate.

Molecular Properties

Compound NameN,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate
PubChem CID159057116
Molecular FormulaC9H23N5O2
Molecular Weight233.32 g/mol
Exact Mass233.19
IUPAC NameN,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate
SMILESCN=C=NC.CNC(=O)OC.CNCNC
InChIInChI=1S/C3H10N2.C3H6N2.C3H7NO2/c2*1-4-3-5-2;1-4-3(5)6-2/h4-5H,3H2,1-2H3;1-2H3;1-2H3,(H,4,5)
InChIKeyJXZMSCZJNBJZDV-UHFFFAOYSA-N
XLogP-0.23
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate?
The IUPAC name of N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate (CID 159057116) is N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate.
What is the SMILES notation for N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate?
The canonical SMILES for N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate is CN=C=NC.CNC(=O)OC.CNCNC.
What is the InChIKey of N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate?
The InChIKey is JXZMSCZJNBJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.C3H6N2.C3H7NO2/c2*1-4-3-5-2;1-4-3(5)6-2/h4-5H,3H2,1-2H3;1-2H3;1-2H3,(H,4,5).
What are the key properties of N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate?
N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate has a molecular weight of 233.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate is sourced from PubChem (CID 159057116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).