4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine

C16H32N4O2 — CID 167447949

IUPAC4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine
SMILESCCCOC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1
InChIInChI=1S/C16H32N4O2/c1-7-8-22-16(6,17)11-15(4,5)9-14-10-20(19-18-14)12-21-13(2)3/h10,13H,7-9,11-12,17H2,1-6H3
InChIKeyONVLFCDRXGMESM-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.72
Rot. Bonds10

About 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine

4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine (PubChem CID 167447949) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine
PubChem CID167447949
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine
SMILESCCCOC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1
InChIInChI=1S/C16H32N4O2/c1-7-8-22-16(6,17)11-15(4,5)9-14-10-20(19-18-14)12-21-13(2)3/h10,13H,7-9,11-12,17H2,1-6H3
InChIKeyONVLFCDRXGMESM-UHFFFAOYSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine?
The IUPAC name of 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine (CID 167447949) is 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine?
The canonical SMILES for 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine is CCCOC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1.
What is the InChIKey of 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine?
The InChIKey is ONVLFCDRXGMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-7-8-22-16(6,17)11-15(4,5)9-14-10-20(19-18-14)12-21-13(2)3/h10,13H,7-9,11-12,17H2,1-6H3.
What are the key properties of 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine?
4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine has a molecular weight of 312.46 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine is sourced from PubChem (CID 167447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).