N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine

C17H33N3O — CID 64778111

IUPACN-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)n1ccc(CC(CNCCOC)C(C)C)n1
InChIInChI=1S/C17H33N3O/c1-6-17(7-2)20-10-8-16(19-20)12-15(14(3)4)13-18-9-11-21-5/h8,10,14-15,17-18H,6-7,9,11-13H2,1-5H3
InChIKeyLRTIAFBOAVFDKQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.29
Rot. Bonds11

About N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine

N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 64778111) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID64778111
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)n1ccc(CC(CNCCOC)C(C)C)n1
InChIInChI=1S/C17H33N3O/c1-6-17(7-2)20-10-8-16(19-20)12-15(14(3)4)13-18-9-11-21-5/h8,10,14-15,17-18H,6-7,9,11-13H2,1-5H3
InChIKeyLRTIAFBOAVFDKQ-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]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

N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64773550
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 82722023
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine (CID 64778111) is N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine is CCC(CC)n1ccc(CC(CNCCOC)C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is LRTIAFBOAVFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-17(7-2)20-10-8-16(19-20)12-15(14(3)4)13-18-9-11-21-5/h8,10,14-15,17-18H,6-7,9,11-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 64778111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).