2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine

C12H22N4O — CID 114202257

IUPAC2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cn(CC2CCCCO2)nn1
InChIInChI=1S/C12H22N4O/c1-9(2)12(13)11-8-16(15-14-11)7-10-5-3-4-6-17-10/h8-10,12H,3-7,13H2,1-2H3
InChIKeyZHPHUJXFWIFTIT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine

2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 114202257) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID114202257
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cn(CC2CCCCO2)nn1
InChIInChI=1S/C12H22N4O/c1-9(2)12(13)11-8-16(15-14-11)7-10-5-3-4-6-17-10/h8-10,12H,3-7,13H2,1-2H3
InChIKeyZHPHUJXFWIFTIT-UHFFFAOYSA-N
XLogP1.50
TPSA65.96 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
4-(2-cyclopropylethynyl)-2-[1-[1-(oxan-2-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 164857428
4-[1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-1-(oxan-2-ylmethyl)triazole
CID 164858111
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine
CID 114202399
CID 164857434
CID 164857434
[5-(2-cyclopropylethynyl)-2-methylphenyl]-[1-(oxan-2-ylmethyl)triazol-4-yl]methanol
CID 164858088
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine (CID 114202257) is 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine is CC(C)C(N)c1cn(CC2CCCCO2)nn1.
What is the InChIKey of 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is ZHPHUJXFWIFTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)12(13)11-8-16(15-14-11)7-10-5-3-4-6-17-10/h8-10,12H,3-7,13H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine?
2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114202257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).