N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine

C22H44N4O — CID 138715749

IUPACN,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine
SMILESCNCCC(C)(C)OCCC(C)(C)n1cc(CC(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C22H44N4O/c1-19(2,3)17-20(4,5)15-18-16-26(25-24-18)21(6,7)12-14-27-22(8,9)11-13-23-10/h16,23H,11-15,17H2,1-10H3
InChIKeyYLQISFHZDSJRNO-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.81
Rot. Bonds11

About N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine

N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine (PubChem CID 138715749) has the molecular formula C22H44N4O and a molecular weight of 380.62 g/mol. Its IUPAC name is N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine
PubChem CID138715749
Molecular FormulaC22H44N4O
Molecular Weight380.62 g/mol
Exact Mass380.35
IUPAC NameN,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine
SMILESCNCCC(C)(C)OCCC(C)(C)n1cc(CC(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C22H44N4O/c1-19(2,3)17-20(4,5)15-18-16-26(25-24-18)21(6,7)12-14-27-22(8,9)11-13-23-10/h16,23H,11-15,17H2,1-10H3
InChIKeyYLQISFHZDSJRNO-UHFFFAOYSA-N
XLogP4.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine?
The IUPAC name of N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine (CID 138715749) is N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine?
The canonical SMILES for N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine is CNCCC(C)(C)OCCC(C)(C)n1cc(CC(C)(C)CC(C)(C)C)nn1.
What is the InChIKey of N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine?
The InChIKey is YLQISFHZDSJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O/c1-19(2,3)17-20(4,5)15-18-16-26(25-24-18)21(6,7)12-14-27-22(8,9)11-13-23-10/h16,23H,11-15,17H2,1-10H3.
What are the key properties of N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine?
N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine has a molecular weight of 380.62 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine is sourced from PubChem (CID 138715749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).