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

C14H28N4O — CID 116759933

IUPAC3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ncnn1CC)NC
InChIInChI=1S/C14H28N4O/c1-6-14(7-2,19-9-4)12(15-5)10-13-16-11-17-18(13)8-3/h11-12,15H,6-10H2,1-5H3
InChIKeyBFMJQQSUQMIBHX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.02
Rot. Bonds9

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

3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine (PubChem CID 116759933) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
PubChem CID116759933
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ncnn1CC)NC
InChIInChI=1S/C14H28N4O/c1-6-14(7-2,19-9-4)12(15-5)10-13-16-11-17-18(13)8-3/h11-12,15H,6-10H2,1-5H3
InChIKeyBFMJQQSUQMIBHX-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
N,N,3-triethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydrazinylpentan-3-amine
CID 105242029
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-ol
CID 116752758
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine (CID 116759933) is 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine is CCOC(CC)(CC)C(Cc1ncnn1CC)NC.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine?
The InChIKey is BFMJQQSUQMIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-6-14(7-2,19-9-4)12(15-5)10-13-16-11-17-18(13)8-3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine?
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 116759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).