2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine

C12H24N4O — CID 112744581

IUPAC2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCOC(C)(CC)C(N)c1ncnn1C(C)C
InChIInChI=1S/C12H24N4O/c1-6-12(5,17-7-2)10(13)11-14-8-15-16(11)9(3)4/h8-10H,6-7,13H2,1-5H3
InChIKeyKJCCSOXLVXRCFS-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.06
Rot. Bonds6

About 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine

2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 112744581) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID112744581
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCOC(C)(CC)C(N)c1ncnn1C(C)C
InChIInChI=1S/C12H24N4O/c1-6-12(5,17-7-2)10(13)11-14-8-15-16(11)9(3)4/h8-10H,6-7,13H2,1-5H3
InChIKeyKJCCSOXLVXRCFS-UHFFFAOYSA-N
XLogP2.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 116752288
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
CID 114661608
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
1-(3,4-diethoxyphenyl)-2-ethoxy-2-methylbutan-1-amine
CID 116758530
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (CID 112744581) is 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is CCOC(C)(CC)C(N)c1ncnn1C(C)C.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is KJCCSOXLVXRCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-12(5,17-7-2)10(13)11-14-8-15-16(11)9(3)4/h8-10H,6-7,13H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 112744581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).