N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine

C15H29N3O — CID 103014550

IUPACN-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCOCCNCC(CCc1ccnn1C)CC(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)11-14(12-16-9-10-19-4)5-6-15-7-8-17-18(15)3/h7-8,13-14,16H,5-6,9-12H2,1-4H3
InChIKeySANNHYNBZWNYTN-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.25
Rot. Bonds10

About N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine

N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (PubChem CID 103014550) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
PubChem CID103014550
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCOCCNCC(CCc1ccnn1C)CC(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)11-14(12-16-9-10-19-4)5-6-15-7-8-17-18(15)3/h7-8,13-14,16H,5-6,9-12H2,1-4H3
InChIKeySANNHYNBZWNYTN-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-(2-methoxyethyl)-4-methyl-2-(trimethylsilylmethyl)pentan-1-amine
CID 106323555
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
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]pyrazol-3-yl]methyl]ethanamine
CID 103015783
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (CID 103014550) is N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is COCCNCC(CCc1ccnn1C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The InChIKey is SANNHYNBZWNYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)11-14(12-16-9-10-19-4)5-6-15-7-8-17-18(15)3/h7-8,13-14,16H,5-6,9-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 103014550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).