2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

C14H26N4O — CID 114689223

IUPAC2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(NCC)C(OCC)C1CC1
InChIInChI=1S/C14H26N4O/c1-4-9-18-12(10-16-17-18)13(15-5-2)14(19-6-3)11-7-8-11/h10-11,13-15H,4-9H2,1-3H3
InChIKeyCGDRQHSIVQCGHU-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.15
Rot. Bonds9

About 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114689223) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114689223
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(NCC)C(OCC)C1CC1
InChIInChI=1S/C14H26N4O/c1-4-9-18-12(10-16-17-18)13(15-5-2)14(19-6-3)11-7-8-11/h10-11,13-15H,4-9H2,1-3H3
InChIKeyCGDRQHSIVQCGHU-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114689223) is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(NCC)C(OCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is CGDRQHSIVQCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-9-18-12(10-16-17-18)13(15-5-2)14(19-6-3)11-7-8-11/h10-11,13-15H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 266.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).