4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one

C14H26N4O — CID 169289986

IUPAC4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one
SMILESCC(C)Cn1cc(CCNCCC(=O)C(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-11(2)9-18-10-13(16-17-18)5-7-15-8-6-14(19)12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAXKQCCGIXBQUAZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.68
Rot. Bonds9

About 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one

4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one (PubChem CID 169289986) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one
PubChem CID169289986
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one
SMILESCC(C)Cn1cc(CCNCCC(=O)C(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-11(2)9-18-10-13(16-17-18)5-7-15-8-6-14(19)12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAXKQCCGIXBQUAZ-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.68
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

2-methyl-7-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]heptan-3-one
CID 158277877
3-methyl-1-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]butan-2-one
CID 167379866
4-(2-bromoethyl)-1-(2-methylpropyl)triazole
CID 62395497
N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
CID 155740464
2-methyl-1-[1-(2-methylpropyl)triazol-4-yl]propan-1-one
CID 130383213
3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
CID 178007494
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-(2-methylpropyl)-4-octyltriazole
CID 163401173
4-(4-iodobutyl)-1-(2-methylpropyl)triazole
CID 126677580
4-(chloromethyl)-1-(2-methylpropyl)triazole
CID 62399892
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
2-(iodoamino)-3-[1-(4-methyl-3-oxopentyl)triazol-4-yl]propanamide
CID 166706142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one?
The IUPAC name of 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one (CID 169289986) is 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one?
The canonical SMILES for 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one is CC(C)Cn1cc(CCNCCC(=O)C(C)C)nn1.
What is the InChIKey of 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one?
The InChIKey is AXKQCCGIXBQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-18-10-13(16-17-18)5-7-15-8-6-14(19)12(3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one?
4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[1-(2-methylpropyl)triazol-4-yl]ethylamino]pentan-3-one is sourced from PubChem (CID 169289986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).