2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine

C14H28N4O — CID 114689268

IUPAC2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
SMILESCCCn1nncc1C(NCC)C(C)(CC)OCC
InChIInChI=1S/C14H28N4O/c1-6-10-18-12(11-16-17-18)13(15-8-3)14(5,7-2)19-9-4/h11,13,15H,6-10H2,1-5H3
InChIKeyHZUZNCVHGCNPFC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.54
Rot. Bonds9

About 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine

2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine (PubChem CID 114689268) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
PubChem CID114689268
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
SMILESCCCn1nncc1C(NCC)C(C)(CC)OCC
InChIInChI=1S/C14H28N4O/c1-6-10-18-12(11-16-17-18)13(15-8-3)14(5,7-2)19-9-4/h11,13,15H,6-10H2,1-5H3
InChIKeyHZUZNCVHGCNPFC-UHFFFAOYSA-N
XLogP2.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine (CID 114689268) is 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine is CCCn1nncc1C(NCC)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine?
The InChIKey is HZUZNCVHGCNPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-6-10-18-12(11-16-17-18)13(15-8-3)14(5,7-2)19-9-4/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine?
2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114689268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).