N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine

C13H26N4O — CID 155599524

IUPACN,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1cn(CCOC(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-11(2)8-16(5)9-13-10-17(15-14-13)6-7-18-12(3)4/h10-12H,6-9H2,1-5H3
InChIKeyNRPVLMROFXGDJR-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.79
Rot. Bonds8

About N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 155599524) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID155599524
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1cn(CCOC(C)C)nn1
InChIInChI=1S/C13H26N4O/c1-11(2)8-16(5)9-13-10-17(15-14-13)6-7-18-12(3)4/h10-12H,6-9H2,1-5H3
InChIKeyNRPVLMROFXGDJR-UHFFFAOYSA-N
XLogP1.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine (CID 155599524) is N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine is CC(C)CN(C)Cc1cn(CCOC(C)C)nn1.
What is the InChIKey of N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is NRPVLMROFXGDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)8-16(5)9-13-10-17(15-14-13)6-7-18-12(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 155599524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).