N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

C12H22N4O — CID 107050468

IUPACN-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1(C)CCCCO1
InChIInChI=1S/C12H22N4O/c1-12(6-4-5-7-17-12)11(13-2)8-10-9-16(3)15-14-10/h9,11,13H,4-8H2,1-3H3
InChIKeyYMAGXQJGXGUKTP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds4

About N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050468) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050468
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1(C)CCCCO1
InChIInChI=1S/C12H22N4O/c1-12(6-4-5-7-17-12)11(13-2)8-10-9-16(3)15-14-10/h9,11,13H,4-8H2,1-3H3
InChIKeyYMAGXQJGXGUKTP-UHFFFAOYSA-N
XLogP0.90
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107050468) is N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is YMAGXQJGXGUKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(6-4-5-7-17-12)11(13-2)8-10-9-16(3)15-14-10/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).