2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine

C13H24N4O — CID 113412524

IUPAC2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
SMILESCCC1(C)CC(NCCCn2ccnn2)CCO1
InChIInChI=1S/C13H24N4O/c1-3-13(2)11-12(5-10-18-13)14-6-4-8-17-9-7-15-16-17/h7,9,12,14H,3-6,8,10-11H2,1-2H3
InChIKeyPKCIUGUOZOJNCY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.61
Rot. Bonds6

About 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine

2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine (PubChem CID 113412524) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
PubChem CID113412524
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
SMILESCCC1(C)CC(NCCCn2ccnn2)CCO1
InChIInChI=1S/C13H24N4O/c1-3-13(2)11-12(5-10-18-13)14-6-4-8-17-9-7-15-16-17/h7,9,12,14H,3-6,8,10-11H2,1-2H3
InChIKeyPKCIUGUOZOJNCY-UHFFFAOYSA-N
XLogP1.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine
CID 113412521
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369
2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
CID 106658992
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 83033681
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
CID 113412516
2,2,5,5-tetramethyl-N-[2-(triazol-1-yl)ethyl]oxolan-3-amine
CID 113375264
2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
CID 64547429
trans-(1S,3S)-2,2-dimethyl-3-phenyl-N-[3-(triazol-1-yl)propyl]cyclobutan-1-amine
CID 99604884
2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
CID 79552253

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine (CID 113412524) is 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine is CCC1(C)CC(NCCCn2ccnn2)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine?
The InChIKey is PKCIUGUOZOJNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-13(2)11-12(5-10-18-13)14-6-4-8-17-9-7-15-16-17/h7,9,12,14H,3-6,8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine?
2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine is sourced from PubChem (CID 113412524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).