1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine

C13H24N4O — CID 116723427

IUPAC1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1ncnn1CC)NC
InChIInChI=1S/C13H24N4O/c1-4-17-12(15-9-16-17)8-11(14-3)13(18-5-2)10-6-7-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeyAMJFFNLZFUZXPW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds8

About 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine

1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine (PubChem CID 116723427) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
PubChem CID116723427
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1ncnn1CC)NC
InChIInChI=1S/C13H24N4O/c1-4-17-12(15-9-16-17)8-11(14-3)13(18-5-2)10-6-7-10/h9-11,13-14H,4-8H2,1-3H3
InChIKeyAMJFFNLZFUZXPW-UHFFFAOYSA-N
XLogP1.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474
1-cyclohexyl-3-(2-ethyl-1,2,4-triazol-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771535
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
[3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273812
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376
1-cyclopropyl-1-ethoxy-N-methyl-3-quinolin-4-ylpropan-2-amine
CID 116723331

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine (CID 116723427) is 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine is CCOC(C1CC1)C(Cc1ncnn1CC)NC.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is AMJFFNLZFUZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-12(15-9-16-17)8-11(14-3)13(18-5-2)10-6-7-10/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 116723427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).