(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine

C14H25N3 — CID 50949002

IUPAC(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H25N3/c1-7-11(2)9-17(6)10-12-8-13(16-15-12)14(3,4)5/h7-8H,9-10H2,1-6H3,(H,15,16)/b11-7+
InChIKeyOSBZYEYTZBOFHM-YRNVUSSQSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds4

About (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine

(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine (PubChem CID 50949002) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
PubChem CID50949002
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(\C)CN(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H25N3/c1-7-11(2)9-17(6)10-12-8-13(16-15-12)14(3,4)5/h7-8H,9-10H2,1-6H3,(H,15,16)/b11-7+
InChIKeyOSBZYEYTZBOFHM-YRNVUSSQSA-N
XLogP3.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine (CID 50949002) is (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine is C/C=C(\C)CN(C)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine?
The InChIKey is OSBZYEYTZBOFHM-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-11(2)9-17(6)10-12-8-13(16-15-12)14(3,4)5/h7-8H,9-10H2,1-6H3,(H,15,16)/b11-7+.
What are the key properties of (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine?
(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine is sourced from PubChem (CID 50949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).