1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

C14H26N4O — CID 116723474

IUPAC1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(NC)C(OCC)C1CC1
InChIInChI=1S/C14H26N4O/c1-4-8-18-13(16-10-17-18)9-12(15-3)14(19-5-2)11-6-7-11/h10-12,14-15H,4-9H2,1-3H3
InChIKeyYDXNKLFLSCASCK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.63
Rot. Bonds9

About 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 116723474) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID116723474
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(NC)C(OCC)C1CC1
InChIInChI=1S/C14H26N4O/c1-4-8-18-13(16-10-17-18)9-12(15-3)14(19-5-2)11-6-7-11/h10-12,14-15H,4-9H2,1-3H3
InChIKeyYDXNKLFLSCASCK-UHFFFAOYSA-N
XLogP1.63
TPSA51.97 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116723427
1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-cyclohexyl-3-(2-ethyl-1,2,4-triazol-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771535
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
CID 112570463
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105265858

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 116723474) is 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1ncnc1CC(NC)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is YDXNKLFLSCASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-8-18-13(16-10-17-18)9-12(15-3)14(19-5-2)11-6-7-11/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 116723474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).