N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

C14H25N3 — CID 81017767

IUPACN-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(C2CCC2CNC(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-17-10-12(9-16-17)13-7-6-11(13)8-15-14(2,3)4/h9-11,13,15H,5-8H2,1-4H3
InChIKeyNIVIKNBGGQPJLD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds4

About N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81017767) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81017767
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(C2CCC2CNC(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-17-10-12(9-16-17)13-7-6-11(13)8-15-14(2,3)4/h9-11,13,15H,5-8H2,1-4H3
InChIKeyNIVIKNBGGQPJLD-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81017767) is N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is CCn1cc(C2CCC2CNC(C)(C)C)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NIVIKNBGGQPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17-10-12(9-16-17)13-7-6-11(13)8-15-14(2,3)4/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).