4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine

C12H24N4O — CID 63328678

IUPAC4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1nncn1C
InChIInChI=1S/C12H24N4O/c1-10(8-12(2,3)17-5)13-7-6-11-15-14-9-16(11)4/h9-10,13H,6-8H2,1-5H3
InChIKeyZJLOHWHPQVJDCA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds7

About 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (PubChem CID 63328678) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
PubChem CID63328678
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1nncn1C
InChIInChI=1S/C12H24N4O/c1-10(8-12(2,3)17-5)13-7-6-11-15-14-9-16(11)4/h9-10,13H,6-8H2,1-5H3
InChIKeyZJLOHWHPQVJDCA-UHFFFAOYSA-N
XLogP1.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
(1-ethylpropyl)[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amine
CID 50978226
1-[4-(3-Methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 45791118
N-tert-butyl-3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 172108227
(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 28064127
(1S)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 28064129
4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
CID 43702840
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 43702945
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
CID 43703195
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43703258
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43748023

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (CID 63328678) is 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NCCc1nncn1C.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The InChIKey is ZJLOHWHPQVJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(8-12(2,3)17-5)13-7-6-11-15-14-9-16(11)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 63328678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).