1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine

C14H26N4O2 — CID 103546897

IUPAC1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
SMILESCCNC(Cc1ncnn1CC(C)C)CC1OCCO1
InChIInChI=1S/C14H26N4O2/c1-4-15-12(8-14-19-5-6-20-14)7-13-16-10-17-18(13)9-11(2)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyZGNNSCOGZLYLPE-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.22
Rot. Bonds8

About 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine

1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine (PubChem CID 103546897) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
PubChem CID103546897
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
SMILESCCNC(Cc1ncnn1CC(C)C)CC1OCCO1
InChIInChI=1S/C14H26N4O2/c1-4-15-12(8-14-19-5-6-20-14)7-13-16-10-17-18(13)9-11(2)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyZGNNSCOGZLYLPE-UHFFFAOYSA-N
XLogP1.22
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine with MolForge

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
CID 103546912
N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000013
N-ethyl-4-(2-methoxyethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 102928376
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999928
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine (CID 103546897) is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine is CCNC(Cc1ncnn1CC(C)C)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The InChIKey is ZGNNSCOGZLYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-15-12(8-14-19-5-6-20-14)7-13-16-10-17-18(13)9-11(2)3/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine is sourced from PubChem (CID 103546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).