4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine

C14H27N3O — CID 116803962

IUPAC4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
SMILESCC(C)CCCNCCOc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3O/c1-12(2)6-5-7-15-8-9-18-14-10-16-17(11-14)13(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyDJCGGHRSJXZDEM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.87
Rot. Bonds9

About 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine

4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine (PubChem CID 116803962) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
PubChem CID116803962
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
SMILESCC(C)CCCNCCOc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3O/c1-12(2)6-5-7-15-8-9-18-14-10-16-17(11-14)13(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyDJCGGHRSJXZDEM-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.87
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',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
CID 116803900
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine (CID 116803962) is 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine is CC(C)CCCNCCOc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine?
The InChIKey is DJCGGHRSJXZDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)6-5-7-15-8-9-18-14-10-16-17(11-14)13(3)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine?
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine is sourced from PubChem (CID 116803962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).