2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

C15H28N4O — CID 64852944

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCc2nncn2C)C1(C)C
InChIInChI=1S/C15H28N4O/c1-11(2)9-20-13-8-12(15(13,3)4)16-7-6-14-18-17-10-19(14)5/h10-13,16H,6-9H2,1-5H3
InChIKeyMPAOZHCZCAUJBA-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds7

About 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 64852944) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID64852944
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCc2nncn2C)C1(C)C
InChIInChI=1S/C15H28N4O/c1-11(2)9-20-13-8-12(15(13,3)4)16-7-6-14-18-17-10-19(14)5/h10-13,16H,6-9H2,1-5H3
InChIKeyMPAOZHCZCAUJBA-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (CID 64852944) is 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is CC(C)COC1CC(NCCc2nncn2C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is MPAOZHCZCAUJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)9-20-13-8-12(15(13,3)4)16-7-6-14-18-17-10-19(14)5/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64852944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).