N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine

C11H19N3 — CID 103071542

IUPACN-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)Cn1cccn1
InChIInChI=1S/C11H19N3/c1-10(8-12-11(2,3)4)9-14-7-5-6-13-14/h5-7,12H,1,8-9H2,2-4H3
InChIKeyWMDXKWWLDSEPCA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.83
Rot. Bonds4

About N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine

N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine (PubChem CID 103071542) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine
PubChem CID103071542
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)Cn1cccn1
InChIInChI=1S/C11H19N3/c1-10(8-12-11(2,3)4)9-14-7-5-6-13-14/h5-7,12H,1,8-9H2,2-4H3
InChIKeyWMDXKWWLDSEPCA-UHFFFAOYSA-N
XLogP1.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine (CID 103071542) is N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)Cn1cccn1.
What is the InChIKey of N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is WMDXKWWLDSEPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(8-12-11(2,3)4)9-14-7-5-6-13-14/h5-7,12H,1,8-9H2,2-4H3.
What are the key properties of N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine?
N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).