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

C17H34N4O2 — CID 167491644

IUPAC4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine
SMILESCC(C)COC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1
InChIInChI=1S/C17H34N4O2/c1-13(2)10-23-17(7,18)11-16(5,6)8-15-9-21(20-19-15)12-22-14(3)4/h9,13-14H,8,10-12,18H2,1-7H3
InChIKeyWAIXVLGMJQRPPT-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.97
Rot. Bonds10

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

4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine (PubChem CID 167491644) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine
PubChem CID167491644
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine
SMILESCC(C)COC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1
InChIInChI=1S/C17H34N4O2/c1-13(2)10-23-17(7,18)11-16(5,6)8-15-9-21(20-19-15)12-22-14(3)4/h9,13-14H,8,10-12,18H2,1-7H3
InChIKeyWAIXVLGMJQRPPT-UHFFFAOYSA-N
XLogP2.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.97
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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Related Compounds

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CID 137432464
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CID 138715749
CID 138715749
CID 144118679
CID 144118679
CID 155329435
CID 155329435
CID 155332921
CID 155332921
CID 155725247
CID 155725247
CID 155740724
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CID 156291190
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CID 163685204
CID 163685204

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine (CID 167491644) is 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine is CC(C)COC(C)(N)CC(C)(C)Cc1cn(COC(C)C)nn1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine?
The InChIKey is WAIXVLGMJQRPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-13(2)10-23-17(7,18)11-16(5,6)8-15-9-21(20-19-15)12-22-14(3)4/h9,13-14H,8,10-12,18H2,1-7H3.
What are the key properties of 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine?
4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine has a molecular weight of 326.49 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine is sourced from PubChem (CID 167491644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).