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

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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).