4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine

C13H26N4O2 — CID 107051391

IUPAC4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1cn(C)nn1
InChIInChI=1S/C13H26N4O2/c1-4-6-14-12(5-7-19-9-8-18-3)10-13-11-17(2)16-15-13/h11-12,14H,4-10H2,1-3H3
InChIKeyZSLGWPWWPILLCG-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.78
Rot. Bonds11

About 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine

4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine (PubChem CID 107051391) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
PubChem CID107051391
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1cn(C)nn1
InChIInChI=1S/C13H26N4O2/c1-4-6-14-12(5-7-19-9-8-18-3)10-13-11-17(2)16-15-13/h11-12,14H,4-10H2,1-3H3
InChIKeyZSLGWPWWPILLCG-UHFFFAOYSA-N
XLogP0.78
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928661
N-methyl-1-(1-methyltriazol-4-yl)-3-propoxypropan-2-amine
CID 107048866
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107063863

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine (CID 107051391) is 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine is CCCNC(CCOCCOC)Cc1cn(C)nn1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is ZSLGWPWWPILLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-6-14-12(5-7-19-9-8-18-3)10-13-11-17(2)16-15-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 0.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 107051391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).