N,N'-dimethyl-N-(oxan-4-yl)methanimidamide

C8H16N2O — CID 90250584

IUPACN,N'-dimethyl-N-(oxan-4-yl)methanimidamide
SMILESC/N=C/N(C)C1CCOCC1
InChIInChI=1S/C8H16N2O/c1-9-7-10(2)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyJWXKLWBXPXMBHI-VQHVLOKHSA-N
MW156.23 g/mol
LogP0.76
Rot. Bonds2

About N,N'-dimethyl-N-(oxan-4-yl)methanimidamide

N,N'-dimethyl-N-(oxan-4-yl)methanimidamide (PubChem CID 90250584) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N,N'-dimethyl-N-(oxan-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-(oxan-4-yl)methanimidamide
PubChem CID90250584
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN,N'-dimethyl-N-(oxan-4-yl)methanimidamide
SMILESC/N=C/N(C)C1CCOCC1
InChIInChI=1S/C8H16N2O/c1-9-7-10(2)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyJWXKLWBXPXMBHI-VQHVLOKHSA-N
XLogP0.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-(oxan-4-yl)-4,5-dihydroimidazole
CID 89409824
N'-methanimidoyl-N-methyl-N-(oxan-4-yl)methanimidamide
CID 118973471
1-(oxan-4-yl)-2H-1,3,5-triazine
CID 175948777
1,2-Dimethyl-1-(oxan-4-yl)guanidine
CID 62360995
2-Ethyl-1-methyl-1-(oxan-4-yl)guanidine
CID 62364529
1-Methyl-1-(oxan-4-yl)-2-propylguanidine
CID 62364530
1-Methyl-1-(oxan-4-yl)-2-propan-2-ylguanidine
CID 62364531
2-Cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine
CID 62364758
2-Tert-butyl-1-methyl-1-(oxan-4-yl)guanidine
CID 62364759
1-Methyl-2-(2-methylpropyl)-1-(oxan-4-yl)guanidine
CID 62364760
3-(Diaminomethylidene)-1-methyl-1-(oxan-4-yl)guanidine
CID 83031372
N,1-dimethyl-N-(oxan-4-yl)-4,5-dihydroimidazol-2-amine
CID 133633673

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(oxan-4-yl)methanimidamide?
The IUPAC name of N,N'-dimethyl-N-(oxan-4-yl)methanimidamide (CID 90250584) is N,N'-dimethyl-N-(oxan-4-yl)methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-(oxan-4-yl)methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-(oxan-4-yl)methanimidamide is C/N=C/N(C)C1CCOCC1.
What is the InChIKey of N,N'-dimethyl-N-(oxan-4-yl)methanimidamide?
The InChIKey is JWXKLWBXPXMBHI-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-7-10(2)8-3-5-11-6-4-8/h7-8H,3-6H2,1-2H3/b9-7+.
What are the key properties of N,N'-dimethyl-N-(oxan-4-yl)methanimidamide?
N,N'-dimethyl-N-(oxan-4-yl)methanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(oxan-4-yl)methanimidamide is sourced from PubChem (CID 90250584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).