2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine

C11H22N4O — CID 114941761

IUPAC2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ncnn1CC
InChIInChI=1S/C11H22N4O/c1-5-15-10(13-9-14-15)7-12-8-11(3,4)16-6-2/h9,12H,5-8H2,1-4H3
InChIKeyWAFCGYXRCQHHIH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.20
Rot. Bonds7

About 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine

2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114941761) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID114941761
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ncnn1CC
InChIInChI=1S/C11H22N4O/c1-5-15-10(13-9-14-15)7-12-8-11(3,4)16-6-2/h9,12H,5-8H2,1-4H3
InChIKeyWAFCGYXRCQHHIH-UHFFFAOYSA-N
XLogP1.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
CID 106147440
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151899
3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylbutan-2-one
CID 116710114
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417419
2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 114941443
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (CID 114941761) is 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine is CCOC(C)(C)CNCc1ncnn1CC.
What is the InChIKey of 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is WAFCGYXRCQHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-15-10(13-9-14-15)7-12-8-11(3,4)16-6-2/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).