N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide

C10H14N2O2 — CID 23260387

IUPACN'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide
SMILESC#CCOC(N=CN(C)C)OCC#C
InChIInChI=1S/C10H14N2O2/c1-5-7-13-10(14-8-6-2)11-9-12(3)4/h1-2,9-10H,7-8H2,3-4H3
InChIKeyWVKFWCKRGNNBDX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.16
Rot. Bonds6

About N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide

N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide (PubChem CID 23260387) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide
PubChem CID23260387
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide
SMILESC#CCOC(N=CN(C)C)OCC#C
InChIInChI=1S/C10H14N2O2/c1-5-7-13-10(14-8-6-2)11-9-12(3)4/h1-2,9-10H,7-8H2,3-4H3
InChIKeyWVKFWCKRGNNBDX-UHFFFAOYSA-N
XLogP0.16
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide (CID 23260387) is N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide is C#CCOC(N=CN(C)C)OCC#C.
What is the InChIKey of N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide?
The InChIKey is WVKFWCKRGNNBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-7-13-10(14-8-6-2)11-9-12(3)4/h1-2,9-10H,7-8H2,3-4H3.
What are the key properties of N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide?
N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide has a molecular weight of 194.23 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(prop-2-ynoxy)methyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 23260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).