2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine

C11H20N4O — CID 115563730

IUPAC2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
SMILESCn1cc(CNC2CCOC(C)(C)C2)nn1
InChIInChI=1S/C11H20N4O/c1-11(2)6-9(4-5-16-11)12-7-10-8-15(3)14-13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyQVJGTLRTOMLCSV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.86
Rot. Bonds3

About 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine

2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine (PubChem CID 115563730) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
PubChem CID115563730
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
SMILESCn1cc(CNC2CCOC(C)(C)C2)nn1
InChIInChI=1S/C11H20N4O/c1-11(2)6-9(4-5-16-11)12-7-10-8-15(3)14-13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyQVJGTLRTOMLCSV-UHFFFAOYSA-N
XLogP0.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563595
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine (CID 115563730) is 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine is Cn1cc(CNC2CCOC(C)(C)C2)nn1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The InChIKey is QVJGTLRTOMLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2)6-9(4-5-16-11)12-7-10-8-15(3)14-13-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115563730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).