N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine

C12H23N3O — CID 115713690

IUPACN-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(C)COCCNC(C)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(2)9-16-6-5-13-11(3)12-7-14-15(4)8-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyKFDXCFRNDVZFIP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115713690) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115713690
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(C)COCCNC(C)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-10(2)9-16-6-5-13-11(3)12-7-14-15(4)8-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyKFDXCFRNDVZFIP-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.74
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-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115676446
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 81011779
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119138531
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 115713690) is N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC(C)COCCNC(C)c1cnn(C)c1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is KFDXCFRNDVZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)9-16-6-5-13-11(3)12-7-14-15(4)8-12/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.74, 7 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]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115713690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).