(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine

C13H19N5 — CID 163491927

IUPAC(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine
SMILESC=C(N=C/C(=C\N)C(C)C)n1cc(C2CC2)nn1
InChIInChI=1S/C13H19N5/c1-9(2)12(6-14)7-15-10(3)18-8-13(16-17-18)11-4-5-11/h6-9,11H,3-5,14H2,1-2H3/b12-6+,15-7?
InChIKeyCNJVLMVVDYBKKL-BKBADNTQSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds5

About (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine

(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine (PubChem CID 163491927) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine
PubChem CID163491927
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine
SMILESC=C(N=C/C(=C\N)C(C)C)n1cc(C2CC2)nn1
InChIInChI=1S/C13H19N5/c1-9(2)12(6-14)7-15-10(3)18-8-13(16-17-18)11-4-5-11/h6-9,11H,3-5,14H2,1-2H3/b12-6+,15-7?
InChIKeyCNJVLMVVDYBKKL-BKBADNTQSA-N
XLogP2.15
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine (CID 163491927) is (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine is C=C(N=C/C(=C\N)C(C)C)n1cc(C2CC2)nn1.
What is the InChIKey of (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine?
The InChIKey is CNJVLMVVDYBKKL-BKBADNTQSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)12(6-14)7-15-10(3)18-8-13(16-17-18)11-4-5-11/h6-9,11H,3-5,14H2,1-2H3/b12-6+,15-7?.
What are the key properties of (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine?
(Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(4-cyclopropyltriazol-1-yl)ethenyliminomethyl]-3-methylbut-1-en-1-amine is sourced from PubChem (CID 163491927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).