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

C13H24N4O — CID 66194002

IUPAC2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)14-8-12-10-17(16-15-12)9-11-4-6-18-7-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyFYMFAZBYVSKRMD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds4

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

2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66194002) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66194002
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CC2CCOCC2)nn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)14-8-12-10-17(16-15-12)9-11-4-6-18-7-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyFYMFAZBYVSKRMD-UHFFFAOYSA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[1-(piperidin-4-ylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-N-(tetrahydrofuran-2-ylmethyl)ethanamine
CID 45176269
N-methyl-1-[1-(piperidin-4-ylmethyl)-1H-1,2,3-triazol-4-yl]-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 45252655
[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 121209115
N-methyl-N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-4-yl)methanamine
CID 132303382
[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 63937128
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-yl]methyl]propan-1-amine
CID 66193053
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-yl]methyl]propan-2-amine
CID 66194001
2,2-difluoro-N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 125456078
2,2-difluoro-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 125456083
3-Fluoro-4-methyl-1-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperidine
CID 132363996
N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)cyclobutan-1-amine
CID 132400582
(2,2-Difluoroethyl)({1-[(oxolan-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methyl)amine
CID 137703632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine (CID 66194002) is 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CC2CCOCC2)nn1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is FYMFAZBYVSKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)14-8-12-10-17(16-15-12)9-11-4-6-18-7-5-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66194002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).