N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine

C15H26ClN3 — CID 102860421

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
SMILESCCC(C)n1ccc(CN(CCCCl)C2CCC2)n1
InChIInChI=1S/C15H26ClN3/c1-3-13(2)19-11-8-14(17-19)12-18(10-5-9-16)15-6-4-7-15/h8,11,13,15H,3-7,9-10,12H2,1-2H3
InChIKeyFSNMUOCOXLURGC-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.84
Rot. Bonds8

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine (PubChem CID 102860421) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
PubChem CID102860421
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
SMILESCCC(C)n1ccc(CN(CCCCl)C2CCC2)n1
InChIInChI=1S/C15H26ClN3/c1-3-13(2)19-11-8-14(17-19)12-18(10-5-9-16)15-6-4-7-15/h8,11,13,15H,3-7,9-10,12H2,1-2H3
InChIKeyFSNMUOCOXLURGC-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine (CID 102860421) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine is CCC(C)n1ccc(CN(CCCCl)C2CCC2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine?
The InChIKey is FSNMUOCOXLURGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-3-13(2)19-11-8-14(17-19)12-18(10-5-9-16)15-6-4-7-15/h8,11,13,15H,3-7,9-10,12H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine has a molecular weight of 283.85 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine is sourced from PubChem (CID 102860421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).