N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

C15H29N3O — CID 103014785

IUPACN-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCOCCNCC(CCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-15(2,3)13(12-16-10-11-19-5)6-7-14-8-9-17-18(14)4/h8-9,13,16H,6-7,10-12H2,1-5H3
InChIKeyJEOMLWXIXWBGRG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.25
Rot. Bonds8

About N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (PubChem CID 103014785) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
PubChem CID103014785
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCOCCNCC(CCc1ccnn1C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-15(2,3)13(12-16-10-11-19-5)6-7-14-8-9-17-18(14)4/h8-9,13,16H,6-7,10-12H2,1-5H3
InChIKeyJEOMLWXIXWBGRG-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.25
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,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014550
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139258
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
CID 103015783
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (CID 103014785) is N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is COCCNCC(CCc1ccnn1C)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The InChIKey is JEOMLWXIXWBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)13(12-16-10-11-19-5)6-7-14-8-9-17-18(14)4/h8-9,13,16H,6-7,10-12H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103014785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).