N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine

C13H25N3O — CID 81341215

IUPACN-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine
SMILESCc1cc(OC(CNC(C)(C)C)C(C)C)n[nH]1
InChIInChI=1S/C13H25N3O/c1-9(2)11(8-14-13(4,5)6)17-12-7-10(3)15-16-12/h7,9,11,14H,8H2,1-6H3,(H,15,16)
InChIKeyYXHLGVOCQYMSBE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.51
Rot. Bonds5

About N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine

N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine (PubChem CID 81341215) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine
PubChem CID81341215
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine
SMILESCc1cc(OC(CNC(C)(C)C)C(C)C)n[nH]1
InChIInChI=1S/C13H25N3O/c1-9(2)11(8-14-13(4,5)6)17-12-7-10(3)15-16-12/h7,9,11,14H,8H2,1-6H3,(H,15,16)
InChIKeyYXHLGVOCQYMSBE-UHFFFAOYSA-N
XLogP2.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-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

Related Compounds

2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81341307
N-tert-butyl-2-methoxy-3-methylbutan-1-amine
CID 62445419
N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
CID 62484837
N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81342336
N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
CID 81341788
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
CID 53398899
methyl (5-methyl-1H-pyrazol-3-yl) carbonate
CID 23224073
N-tert-butyl-3-methyl-2-(2-methylbutan-2-yloxy)butan-1-amine
CID 62457766
3-(2-bromoethoxy)-5-methyl-1H-pyrazole
CID 86074262
N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444012

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine (CID 81341215) is N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine is Cc1cc(OC(CNC(C)(C)C)C(C)C)n[nH]1.
What is the InChIKey of N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine?
The InChIKey is YXHLGVOCQYMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)11(8-14-13(4,5)6)17-12-7-10(3)15-16-12/h7,9,11,14H,8H2,1-6H3,(H,15,16).
What are the key properties of N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine?
N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]butan-1-amine is sourced from PubChem (CID 81341215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).