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

C15H29N3O — CID 64773550

IUPACN-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCOCCNCC(Cc1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H29N3O/c1-12(2)14(11-16-7-9-19-5)10-15-6-8-18(17-15)13(3)4/h6,8,12-14,16H,7,9-11H2,1-5H3
InChIKeyVNEJEUDCRXREFJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.51
Rot. Bonds9

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

N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 64773550) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID64773550
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCOCCNCC(Cc1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H29N3O/c1-12(2)14(11-16-7-9-19-5)10-15-6-8-18(17-15)13(3)4/h6,8,12-14,16H,7,9-11H2,1-5H3
InChIKeyVNEJEUDCRXREFJ-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.51
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

N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772125
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (CID 64773550) is N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is COCCNCC(Cc1ccn(C(C)C)n1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is VNEJEUDCRXREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)14(11-16-7-9-19-5)10-15-6-8-18(17-15)13(3)4/h6,8,12-14,16H,7,9-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.51, 9 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-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 64773550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).