N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine

C7H16N2O — CID 134269759

IUPACN'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine
SMILESCN(CN)CC1(C)COC1
InChIInChI=1S/C7H16N2O/c1-7(4-10-5-7)3-9(2)6-8/h3-6,8H2,1-2H3
InChIKeySAENVKRXNLCWGR-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.13
Rot. Bonds3

About N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine

N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine (PubChem CID 134269759) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine
PubChem CID134269759
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine
SMILESCN(CN)CC1(C)COC1
InChIInChI=1S/C7H16N2O/c1-7(4-10-5-7)3-9(2)6-8/h3-6,8H2,1-2H3
InChIKeySAENVKRXNLCWGR-UHFFFAOYSA-N
XLogP-0.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[(3-methyloxetan-3-yl)methyl]methanediamine?
The IUPAC name of N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine (CID 134269759) is N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine is CN(CN)CC1(C)COC1.
What is the InChIKey of N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine?
The InChIKey is SAENVKRXNLCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(4-10-5-7)3-9(2)6-8/h3-6,8H2,1-2H3.
What are the key properties of N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine?
N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine has a molecular weight of 144.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-methyloxetan-3-yl)methyl]methanediamine is sourced from PubChem (CID 134269759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).