2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine

C12H24N4O — CID 114689248

IUPAC2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NC)C(C)(C)OCC
InChIInChI=1S/C12H24N4O/c1-6-8-16-10(9-14-15-16)11(13-5)12(3,4)17-7-2/h9,11,13H,6-8H2,1-5H3
InChIKeyHQRGZDNTXKKLKX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.76
Rot. Bonds7

About 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine

2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 114689248) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID114689248
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NC)C(C)(C)OCC
InChIInChI=1S/C12H24N4O/c1-6-8-16-10(9-14-15-16)11(13-5)12(3,4)17-7-2/h9,11,13H,6-8H2,1-5H3
InChIKeyHQRGZDNTXKKLKX-UHFFFAOYSA-N
XLogP1.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
CID 114689268
N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114687624
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
CID 114686807
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 114213225
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine (CID 114689248) is 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine is CCCn1nncc1C(NC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is HQRGZDNTXKKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-8-16-10(9-14-15-16)11(13-5)12(3,4)17-7-2/h9,11,13H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.76, 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-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114689248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).