N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

C14H27N3O — CID 64772125

IUPACN-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCOCCNCC(C)(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-12(2)17-8-6-13(16-17)10-14(3,4)11-15-7-9-18-5/h6,8,12,15H,7,9-11H2,1-5H3
InChIKeyKOROPYIHDQEKLN-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.27
Rot. Bonds8

About N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 64772125) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID64772125
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCOCCNCC(C)(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3O/c1-12(2)17-8-6-13(16-17)10-14(3,4)11-15-7-9-18-5/h6,8,12,15H,7,9-11H2,1-5H3
InChIKeyKOROPYIHDQEKLN-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64773550
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
N,2-dimethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102640558
N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64771973
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
CID 64773388
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 64772125) is N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is COCCNCC(C)(C)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is KOROPYIHDQEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)17-8-6-13(16-17)10-14(3,4)11-15-7-9-18-5/h6,8,12,15H,7,9-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 64772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).