N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide

C12H24N2O — CID 63707935

IUPACN,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide
SMILES[H]/N=C(\N(C)CC1CCCOC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(13)14(4)8-10-6-5-7-15-9-10/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyLPNUEMTYPCGWNI-QBFSEMIESA-N
MW212.34 g/mol
LogP2.37
Rot. Bonds2

About N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide

N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide (PubChem CID 63707935) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide
PubChem CID63707935
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide
SMILES[H]/N=C(\N(C)CC1CCCOC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(13)14(4)8-10-6-5-7-15-9-10/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyLPNUEMTYPCGWNI-QBFSEMIESA-N
XLogP2.37
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The IUPAC name of N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide (CID 63707935) is N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide is [H]/N=C(\N(C)CC1CCCOC1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide?
The InChIKey is LPNUEMTYPCGWNI-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(13)14(4)8-10-6-5-7-15-9-10/h10,13H,5-9H2,1-4H3/b13-11-.
What are the key properties of N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide?
N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide has a molecular weight of 212.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(oxan-3-ylmethyl)propanimidamide is sourced from PubChem (CID 63707935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).