N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine

C12H23N3O — CID 106104550

IUPACN-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(C)COCCNCCc1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-6-4-12-5-8-15(3)14-12/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeyRNKNALWSWQMSEL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.22
Rot. Bonds8

About N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 106104550) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID106104550
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(C)COCCNCCc1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-6-4-12-5-8-15(3)14-12/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeyRNKNALWSWQMSEL-UHFFFAOYSA-N
XLogP1.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.22
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-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
3,3-diethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106104477
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 104626899
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104629208
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 106104550) is N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine is CC(C)COCCNCCc1ccn(C)n1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is RNKNALWSWQMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-6-4-12-5-8-15(3)14-12/h5,8,11,13H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106104550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).