N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine

C9H18N2O2 — CID 166989099

IUPACN,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
SMILESCN(C)CN(CC1CO1)C[C@@H]1CO1
InChIInChI=1S/C9H18N2O2/c1-10(2)7-11(3-8-5-12-8)4-9-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyGYNPYLTURXPVAX-VEDVMXKPSA-N
MW186.25 g/mol
LogP-0.39
Rot. Bonds6

About N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine

N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine (PubChem CID 166989099) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
PubChem CID166989099
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
SMILESCN(C)CN(CC1CO1)C[C@@H]1CO1
InChIInChI=1S/C9H18N2O2/c1-10(2)7-11(3-8-5-12-8)4-9-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyGYNPYLTURXPVAX-VEDVMXKPSA-N
XLogP-0.39
TPSA31.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine?
The IUPAC name of N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine (CID 166989099) is N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine.
What is the SMILES notation for N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine?
The canonical SMILES for N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine is CN(C)CN(CC1CO1)C[C@@H]1CO1.
What is the InChIKey of N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine?
The InChIKey is GYNPYLTURXPVAX-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)7-11(3-8-5-12-8)4-9-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine?
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine has a molecular weight of 186.25 g/mol, XLogP of -0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine is sourced from PubChem (CID 166989099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).