N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

C13H25N3O — CID 65197276

IUPACN-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCCCCOCCNC(C)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O/c1-5-6-8-17-9-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeySNZYXGSFZTYQQV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.20
Rot. Bonds8

About N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine

N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 65197276) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID65197276
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCCCCOCCNC(C)c1cn(C)nc1C
InChIInChI=1S/C13H25N3O/c1-5-6-8-17-9-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeySNZYXGSFZTYQQV-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103782776
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79548132
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 65197276) is N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is CCCCOCCNC(C)c1cn(C)nc1C.
What is the InChIKey of N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is SNZYXGSFZTYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-8-17-9-7-14-11(2)13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65197276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).