N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

C12H23N3O2 — CID 82722023

IUPACN-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCC(CC)n1ccc(CNOCCOC)n1
InChIInChI=1S/C12H23N3O2/c1-4-12(5-2)15-7-6-11(14-15)10-13-17-9-8-16-3/h6-7,12-13H,4-5,8-10H2,1-3H3
InChIKeyDQWOKMSCVTUNLQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.91
Rot. Bonds9

About N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (PubChem CID 82722023) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
PubChem CID82722023
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCC(CC)n1ccc(CNOCCOC)n1
InChIInChI=1S/C12H23N3O2/c1-4-12(5-2)15-7-6-11(14-15)10-13-17-9-8-16-3/h6-7,12-13H,4-5,8-10H2,1-3H3
InChIKeyDQWOKMSCVTUNLQ-UHFFFAOYSA-N
XLogP1.91
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 102927552
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799329
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (CID 82722023) is N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is CCC(CC)n1ccc(CNOCCOC)n1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The InChIKey is DQWOKMSCVTUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-12(5-2)15-7-6-11(14-15)10-13-17-9-8-16-3/h6-7,12-13H,4-5,8-10H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 82722023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).