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

C15H28N4O — CID 105002996

IUPACN-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(CCC1CCCO1)NCC
InChIInChI=1S/C15H28N4O/c1-3-9-19-15(17-12-18-19)11-13(16-4-2)7-8-14-6-5-10-20-14/h12-14,16H,3-11H2,1-2H3
InChIKeySFRPQTPATHNSQZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.17
Rot. Bonds9

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

N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105002996) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105002996
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(CCC1CCCO1)NCC
InChIInChI=1S/C15H28N4O/c1-3-9-19-15(17-12-18-19)11-13(16-4-2)7-8-14-6-5-10-20-14/h12-14,16H,3-11H2,1-2H3
InChIKeySFRPQTPATHNSQZ-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999928
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
CID 113391595
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105002996) is N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(CCC1CCCO1)NCC.
What is the InChIKey of N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is SFRPQTPATHNSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-9-19-15(17-12-18-19)11-13(16-4-2)7-8-14-6-5-10-20-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105002996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).