2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

C15H27N3O — CID 64723159

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCc1[nH]ncc1CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)9-19-14-6-13(15(14,4)5)16-7-12-8-17-18-11(12)3/h8,10,13-14,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyGNBQFLOUUDVSFM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 64723159) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID64723159
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCc1[nH]ncc1CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)9-19-14-6-13(15(14,4)5)16-7-12-8-17-18-11(12)3/h8,10,13-14,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyGNBQFLOUUDVSFM-UHFFFAOYSA-N
XLogP2.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (CID 64723159) is 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is Cc1[nH]ncc1CNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is GNBQFLOUUDVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)9-19-14-6-13(15(14,4)5)16-7-12-8-17-18-11(12)3/h8,10,13-14,16H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64723159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).