7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine

C18H34N4O — CID 166949339

IUPAC7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine
SMILESC=C(CCCCC(C)(C)OCc1cn(CCCC)nn1)N(C)C
InChIInChI=1S/C18H34N4O/c1-7-8-13-22-14-17(19-20-22)15-23-18(3,4)12-10-9-11-16(2)21(5)6/h14H,2,7-13,15H2,1,3-6H3
InChIKeyICBLKFYKHIFQTB-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.01
Rot. Bonds12

About 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine

7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine (PubChem CID 166949339) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine.

Molecular Properties

Compound Name7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine
PubChem CID166949339
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine
SMILESC=C(CCCCC(C)(C)OCc1cn(CCCC)nn1)N(C)C
InChIInChI=1S/C18H34N4O/c1-7-8-13-22-14-17(19-20-22)15-23-18(3,4)12-10-9-11-16(2)21(5)6/h14H,2,7-13,15H2,1,3-6H3
InChIKeyICBLKFYKHIFQTB-UHFFFAOYSA-N
XLogP4.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine?
The IUPAC name of 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine (CID 166949339) is 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine.
What is the SMILES notation for 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine?
The canonical SMILES for 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine is C=C(CCCCC(C)(C)OCc1cn(CCCC)nn1)N(C)C.
What is the InChIKey of 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine?
The InChIKey is ICBLKFYKHIFQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-7-8-13-22-14-17(19-20-22)15-23-18(3,4)12-10-9-11-16(2)21(5)6/h14H,2,7-13,15H2,1,3-6H3.
What are the key properties of 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine?
7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine has a molecular weight of 322.50 g/mol, XLogP of 4.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-butyltriazol-4-yl)methoxy]-N,N,7-trimethyloct-1-en-2-amine is sourced from PubChem (CID 166949339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).