3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C13H26N4O — CID 79616250

IUPAC3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCNC(Cc1ncnn1CCC)C(C)OC
InChIInChI=1S/C13H26N4O/c1-5-7-14-12(11(3)18-4)9-13-15-10-16-17(13)8-6-2/h10-12,14H,5-9H2,1-4H3
InChIKeyJUXJTMYIIFOEMD-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.63
Rot. Bonds9

About 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 79616250) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID79616250
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCNC(Cc1ncnn1CCC)C(C)OC
InChIInChI=1S/C13H26N4O/c1-5-7-14-12(11(3)18-4)9-13-15-10-16-17(13)8-6-2/h10-12,14H,5-9H2,1-4H3
InChIKeyJUXJTMYIIFOEMD-UHFFFAOYSA-N
XLogP1.63
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
CID 116719460
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944
N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105162517

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 79616250) is 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCNC(Cc1ncnn1CCC)C(C)OC.
What is the InChIKey of 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is JUXJTMYIIFOEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-7-14-12(11(3)18-4)9-13-15-10-16-17(13)8-6-2/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 79616250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).