N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine

C13H26N4O — CID 166583677

IUPACN-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine
SMILESCC(C)Cc1cn(CCOCCNC(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-11(2)9-13-10-17(16-15-13)6-8-18-7-5-14-12(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyMAIOEFZNXUEWKS-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.49
Rot. Bonds9

About N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine

N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine (PubChem CID 166583677) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine
PubChem CID166583677
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine
SMILESCC(C)Cc1cn(CCOCCNC(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-11(2)9-13-10-17(16-15-13)6-8-18-7-5-14-12(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyMAIOEFZNXUEWKS-UHFFFAOYSA-N
XLogP1.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
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 N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine (CID 166583677) is N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine is CC(C)Cc1cn(CCOCCNC(C)C)nn1.
What is the InChIKey of N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine?
The InChIKey is MAIOEFZNXUEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)9-13-10-17(16-15-13)6-8-18-7-5-14-12(3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 166583677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).