N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine

C15H30N4 — CID 139251733

IUPACN-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine
SMILESCCCCCCCCn1cc(CN(CC)CC)nn1
InChIInChI=1S/C15H30N4/c1-4-7-8-9-10-11-12-19-14-15(16-17-19)13-18(5-2)6-3/h14H,4-13H2,1-3H3
InChIKeyMZCXOKGNKIZTJL-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.48
Rot. Bonds11

About N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine

N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine (PubChem CID 139251733) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine
PubChem CID139251733
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine
SMILESCCCCCCCCn1cc(CN(CC)CC)nn1
InChIInChI=1S/C15H30N4/c1-4-7-8-9-10-11-12-19-14-15(16-17-19)13-18(5-2)6-3/h14H,4-13H2,1-3H3
InChIKeyMZCXOKGNKIZTJL-UHFFFAOYSA-N
XLogP3.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine (CID 139251733) is N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine is CCCCCCCCn1cc(CN(CC)CC)nn1.
What is the InChIKey of N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine?
The InChIKey is MZCXOKGNKIZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-7-8-9-10-11-12-19-14-15(16-17-19)13-18(5-2)6-3/h14H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine?
N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-octyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 139251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).