N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

C13H24N4O — CID 79598149

IUPACN-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCCCn1ncnc1CC=CCCNCCOC
InChIInChI=1S/C13H24N4O/c1-3-10-17-13(15-12-16-17)7-5-4-6-8-14-9-11-18-2/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyBLBABEYWPHVOIN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds10

About N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (PubChem CID 79598149) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
PubChem CID79598149
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCCCn1ncnc1CC=CCCNCCOC
InChIInChI=1S/C13H24N4O/c1-3-10-17-13(15-12-16-17)7-5-4-6-8-14-9-11-18-2/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyBLBABEYWPHVOIN-UHFFFAOYSA-N
XLogP1.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79593237
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-tert-butyl-5-(2-ethyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598770
N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940688
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598527
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
5-(5-bromopent-2-enyl)-1-ethyl-1,2,4-triazole
CID 79603950
(E)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)but-3-en-1-amine
CID 114666292
5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597905
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (CID 79598149) is N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is CCCn1ncnc1CC=CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The InChIKey is BLBABEYWPHVOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-10-17-13(15-12-16-17)7-5-4-6-8-14-9-11-18-2/h4-5,12,14H,3,6-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79598149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).